Diff of the two buildlogs:

--
--- b1/build.log	2025-03-21 06:34:02.921132042 +0000
+++ b2/build.log	2025-03-21 07:02:57.202513971 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Thu Apr 23 00:27:12 -12 2026
-I: pbuilder-time-stamp: 1776947232
+I: Current time: Fri Mar 21 20:34:13 +14 2025
+I: pbuilder-time-stamp: 1742538853
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz]
 I: copying local configuration
@@ -35,52 +35,84 @@
 dpkg-source: info: applying disable_riscv64_timeout_tests.patch
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/3079180/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/D01_modify_environment starting
+debug: Running on codethink04-arm64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Mar 21 06:34 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/D02_print_environment starting
 I: set
-  BUILDDIR='/build/reproducible-path'
-  BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
-  BUILDUSERNAME='pbuilder1'
-  BUILD_ARCH='arm64'
-  DEBIAN_FRONTEND='noninteractive'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu")
+  BASH_VERSION='5.2.37(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=arm64
+  DEBIAN_FRONTEND=noninteractive
   DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 '
-  DISTRIBUTION='trixie'
-  HOME='/root'
-  HOST_ARCH='arm64'
+  DIRSTACK=()
+  DISTRIBUTION=trixie
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=aarch64
+  HOST_ARCH=arm64
   IFS=' 	
   '
-  INVOCATION_ID='a03b8b5bcd804ee49373baf3d0e63194'
-  LANG='C'
-  LANGUAGE='en_US:en'
-  LC_ALL='C'
-  MAIL='/var/mail/root'
-  OPTIND='1'
-  PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
-  PBCURRENTCOMMANDLINEOPERATION='build'
-  PBUILDER_OPERATION='build'
-  PBUILDER_PKGDATADIR='/usr/share/pbuilder'
-  PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
-  PBUILDER_SYSCONFDIR='/etc'
-  PPID='3079180'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=516c9b18ada94d8587acb418ee74850a
+  LANG=C
+  LANGUAGE=nl_BE:nl
+  LC_ALL=C
+  MACHTYPE=aarch64-unknown-linux-gnu
+  MAIL=/var/mail/root
+  OPTERR=1
+  OPTIND=1
+  OSTYPE=linux-gnu
+  PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+  PBCURRENTCOMMANDLINEOPERATION=build
+  PBUILDER_OPERATION=build
+  PBUILDER_PKGDATADIR=/usr/share/pbuilder
+  PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+  PBUILDER_SYSCONFDIR=/etc
+  PIPESTATUS=([0]="0")
+  POSIXLY_CORRECT=y
+  PPID=2107353
   PS4='+ '
-  PWD='/'
-  SHELL='/bin/bash'
-  SHLVL='2'
-  SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/pbuilderrc_IKWN --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/b1 --logfile b1/build.log rdkit_202409.6-2.dsc'
-  SUDO_GID='109'
-  SUDO_UID='104'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
-  http_proxy='http://192.168.101.4:3128'
+  PWD=/
+  SHELL=/bin/bash
+  SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+  SHLVL=3
+  SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/pbuilderrc_IYW8 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/b2 --logfile b2/build.log rdkit_202409.6-2.dsc'
+  SUDO_GID=109
+  SUDO_UID=104
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://192.168.101.4:3128
 I: uname -a
-  Linux codethink03-arm64 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux
+  Linux i-capture-the-hostname 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Mar  4  2025 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/3079180/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 Mar  4 11:20 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -573,7 +605,7 @@
 Get: 368 http://deb.debian.org/debian trixie/main arm64 texlive-latex-recommended all 2024.20250309-1 [8745 kB]
 Get: 369 http://deb.debian.org/debian trixie/main arm64 texlive-pictures all 2024.20250309-1 [17.0 MB]
 Get: 370 http://deb.debian.org/debian trixie/main arm64 texlive-latex-extra all 2024.20250309-2 [25.2 MB]
-Fetched 407 MB in 2s (185 MB/s)
+Fetched 407 MB in 2s (267 MB/s)
 Preconfiguring packages ...
 Selecting previously unselected package m4.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19899 files and directories currently installed.)
@@ -1762,8 +1794,8 @@
 Setting up tzdata (2025a-2) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Thu Apr 23 12:28:54 UTC 2026.
-Universal Time is now:  Thu Apr 23 12:28:54 UTC 2026.
+Local time is now:      Fri Mar 21 06:35:10 UTC 2025.
+Universal Time is now:  Fri Mar 21 06:35:10 UTC 2025.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libboost-atomic1.83.0:arm64 (1.83.0-4.1+b2) ...
@@ -1926,11 +1958,6 @@
 Setting up pandoc (3.1.11.1+ds-2) ...
 Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ...
 Setting up ssl-cert (1.1.3) ...
-hostname: Name or service not known
-make-ssl-cert: Could not get FQDN, using 'codethink03-arm64'.
-make-ssl-cert: You may want to fix your /etc/hosts and/or DNS setup and run
-make-ssl-cert: 'make-ssl-cert generate-default-snakeoil --force-overwrite'
-make-ssl-cert: again.
 Setting up libboost-date-time1.83-dev:arm64 (1.83.0-4.1+b2) ...
 Setting up x11proto-core-dev (2024.1-1) ...
 Setting up shared-mime-info (2.4-5+b2) ...
@@ -2153,7 +2180,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/rdkit-202409.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S  > ../rdkit_202409.6-2_source.changes
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/rdkit-202409.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S  > ../rdkit_202409.6-2_source.changes
 dpkg-buildpackage: info: source package rdkit
 dpkg-buildpackage: info: source version 202409.6-2
 dpkg-buildpackage: info: source distribution unstable
@@ -2277,8 +2308,8 @@
   command to set the policy and suppress this warning.
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
--- Configuring done (3.5s)
--- Generating done (1.1s)
+-- Configuring done (3.1s)
+-- Generating done (0.9s)
 CMake Warning:
   Manually-specified variables were not used by the project:
 
@@ -2339,7 +2370,7 @@
   command to set the policy and suppress this warning.
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
--- Configuring done (1.4s)
+-- Configuring done (1.0s)
 -- Generating done (0.0s)
 -- Build files have been written to: /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
@@ -2353,100 +2384,100 @@
 make  -f CMakeFiles/Makefile2 all
 make[3]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/CMakeFiles/inchi_support.dir/DependInfo.cmake "--color="
 make  -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/RDGeneral.dir/DependInfo.cmake "--color="
 make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/depend
 make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/depend
+make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/CMakeFiles/inchi_support.dir/DependInfo.cmake "--color="
+make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/CMakeFiles/coordgen_support.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/RDGeneral.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/RingFamilies /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/RingFamilies /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/DependInfo.cmake "--color="
-make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/GA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA/CMakeFiles/ga.dir/DependInfo.cmake "--color="
-make  -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E copy /build/reproducible-path/rdkit-202409.6/External/INCHI-API/python/inchi.py /build/reproducible-path/rdkit-202409.6/rdkit/Chem/inchi.py
-make  -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/rdkitCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDStreams /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams/CMakeFiles/RDStreams.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/depend
-make[4]: Nothing to be done for 'External/CoordGen/CMakeFiles/coordgen_support.dir/build'.
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/rdkitCatch.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o -MF CMakeFiles/RDGeneral.dir/Invariant.cpp.o.d -o CMakeFiles/RDGeneral.dir/Invariant.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.cpp
-make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build
+make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/depend
-make[4]: Nothing to be done for 'External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  0%] Built target coordgen_support
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDStreams /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams/CMakeFiles/RDStreams.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/build
+make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build
 make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o -MF CMakeFiles/RDGeneral.dir/types.cpp.o.d -o CMakeFiles/RDGeneral.dir/types.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/types.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o -MF CMakeFiles/RDGeneral.dir/utils.cpp.o.d -o CMakeFiles/RDGeneral.dir/utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.cpp
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o
 make  -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDGeneralExceptions.cpp
-[  1%] Built target inchi_support
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o -MF CMakeFiles/RDGeneral.dir/RDLog.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDLog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDLog.cpp
-[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o
+make[4]: Nothing to be done for 'External/CoordGen/CMakeFiles/coordgen_support.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/build
-[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o -MF CMakeFiles/ga.dir/ga/Chromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/Chromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/Chromosome.cpp
+make  -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/depend
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -MF CMakeFiles/ga.dir/ga/StringChromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/StringChromosome.cpp
-[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -MF CMakeFiles/rdkitCatch.dir/catch_main.cpp.o.d -o CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_main.cpp
+make[4]: Nothing to be done for 'External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/DependInfo.cmake "--color="
-[  1%] Built target ringdecomposerlib_support
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/IntegerStringChromosomePolicy.cpp
-[  1%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RDSTREAMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRDStreams_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o -MF CMakeFiles/RDStreams.dir/streams.cpp.o.d -o CMakeFiles/RDStreams.dir/streams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDStreams/streams.cpp
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E copy /build/reproducible-path/rdkit-202409.6/External/INCHI-API/python/inchi.py /build/reproducible-path/rdkit-202409.6/rdkit/Chem/inchi.py
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/LocaleSwitcher.cpp
 make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  0%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o
+[  0%] Building CXX object Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o
+[  0%] Built target ringdecomposerlib_support
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RDSTREAMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRDStreams_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o -MF CMakeFiles/RDStreams.dir/streams.cpp.o.d -o CMakeFiles/RDStreams.dir/streams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDStreams/streams.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -MF CMakeFiles/rdkitCatch.dir/catch_main.cpp.o.d -o CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_main.cpp
+[  0%] Built target coordgen_support
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o -MF CMakeFiles/RDGeneral.dir/Invariant.cpp.o.d -o CMakeFiles/RDGeneral.dir/Invariant.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.cpp
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o
 [  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o -MF CMakeFiles/RDGeneral.dir/types.cpp.o.d -o CMakeFiles/RDGeneral.dir/types.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/types.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o -MF CMakeFiles/hc.dir/hc.c.o.d -o CMakeFiles/hc.dir/hc.c.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/hc.c
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o -MF CMakeFiles/RDGeneral.dir/utils.cpp.o.d -o CMakeFiles/RDGeneral.dir/utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.cpp
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o
 [  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -MF CMakeFiles/ga.dir/ga/StringChromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/StringChromosome.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o -MF CMakeFiles/hc.dir/hcdriver.c.o.d -o CMakeFiles/hc.dir/hcdriver.c.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/hcdriver.c
-[  1%] Linking C shared library ../../../../lib/libRDKithc.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o -MF CMakeFiles/RDGeneral.dir/versions.cpp.o.d -o CMakeFiles/RDGeneral.dir/versions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/versions.cpp
+[  1%] Built target inchi_support
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o -MF CMakeFiles/ga.dir/ga/Chromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/Chromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/Chromosome.cpp
 [  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/IntegerStringChromosomePolicy.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/BinaryStringChromosomePolicy.cpp
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDGeneralExceptions.cpp
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o -MF CMakeFiles/RDGeneral.dir/RDLog.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDLog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDLog.cpp
+[  1%] Linking C shared library ../../../../lib/libRDKithc.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1
 /usr/bin/cc -fPIC -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -Wl,--dependency-file=CMakeFiles/hc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKithc.so.1 -o ../../../../lib/libRDKithc.so.1.2024.09.6 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o  /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKithc.so.1 ../../../../lib/libRDKithc.so
 [  1%] Building CXX object External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o -MF CMakeFiles/ga.dir/util/RandomUtil.cpp.o.d -o CMakeFiles/ga.dir/util/RandomUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/RandomUtil.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [  1%] Built target hc
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/LocaleSwitcher.cpp
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o -MF CMakeFiles/RDGeneral.dir/versions.cpp.o.d -o CMakeFiles/RDGeneral.dir/versions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/versions.cpp
 [  1%] Building CXX object External/GA/CMakeFiles/ga.dir/util/Util.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/Util.cpp.o -MF CMakeFiles/ga.dir/util/Util.cpp.o.d -o CMakeFiles/ga.dir/util/Util.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/Util.cpp
 [  1%] Linking CXX static library librdkitCatch.a
@@ -2458,318 +2489,318 @@
 [  1%] Built target rdkitCatch
 [  2%] Linking CXX shared library ../../lib/libRDKitga.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_link_script CMakeFiles/ga.dir/link.txt --verbose=1
-[  2%] Linking CXX shared library ../../lib/libRDKitRDStreams.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDStreams.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ga.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitga.so.1 -o ../../lib/libRDKitga.so.1.2024.09.6 CMakeFiles/ga.dir/ga/StringChromosome.cpp.o CMakeFiles/ga.dir/ga/Chromosome.cpp.o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/util/RandomUtil.cpp.o CMakeFiles/ga.dir/util/Util.cpp.o  /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitga.so.1.2024.09.6 ../../lib/libRDKitga.so.1 ../../lib/libRDKitga.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [  2%] Built target ga
+[  2%] Linking CXX shared library ../../lib/libRDKitRDStreams.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDStreams.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDStreams.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDStreams.so.1 -o ../../lib/libRDKitRDStreams.so.1.2024.09.6 CMakeFiles/RDStreams.dir/streams.cpp.o  /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDStreams && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../lib/libRDKitRDStreams.so.1 ../../lib/libRDKitRDStreams.so
-[  2%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeneral.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [  2%] Built target RDStreams
+[  2%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeneral.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDGeneral.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeneral.so.1 -o ../../lib/libRDKitRDGeneral.so.1.2024.09.6 CMakeFiles/RDGeneral.dir/Invariant.cpp.o CMakeFiles/RDGeneral.dir/types.cpp.o CMakeFiles/RDGeneral.dir/utils.cpp.o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o CMakeFiles/RDGeneral.dir/RDLog.cpp.o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o CMakeFiles/RDGeneral.dir/versions.cpp.o  -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeneral.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1 ../../lib/libRDKitRDGeneral.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [  2%] Built target RDGeneral
 make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/depend
+make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend
+make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/DataStructs.dir/DependInfo.cmake "--color="
-make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake "--color="
-make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/CMakeFiles/RDBoost.dir/DependInfo.cmake "--color="
-make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/testDict.dir/DependInfo.cmake "--color="
-make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/DependInfo.cmake "--color="
-make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/logTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/CMakeFiles/testMatrices.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs/CMakeFiles/Catalogs.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Query /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query/CMakeFiles/testQuery.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/DependInfo.cmake "--color="
 make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/build
-[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/build
+make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF CMakeFiles/DataStructs.dir/BitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/BitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitVect.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build
-[  2%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o
-[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DEigenSolvers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_EIGENSOLVERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o
-[  3%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/SparseBitVect.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDBoost_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDBOOST_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o -MF CMakeFiles/RDBoost.dir/Wrap.cpp.o.d -o CMakeFiles/RDBoost.dir/Wrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap.cpp
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/ExplicitBitVect.cpp
+make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/logTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/depend
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o
+make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o
+[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o -MF CMakeFiles/testDict.dir/testDict.cpp.o.d -o CMakeFiles/testDict.dir/testDict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testDict.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o -MF CMakeFiles/testRDValue.dir/testRDValue.cpp.o.d -o CMakeFiles/testRDValue.dir/testRDValue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testRDValue.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF CMakeFiles/DataStructs.dir/BitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/BitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitVect.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/CMakeFiles/testMatrices.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -MF CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o.d -o CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testConcurrentQueue.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o -MF CMakeFiles/DataStructs.dir/Utils.cpp.o.d -o CMakeFiles/DataStructs.dir/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Utils.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  2%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -MF CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o.d -o CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_logs.cpp
-[  3%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o -MF CMakeFiles/testMatrices.dir/testMatrices.cpp.o.d -o CMakeFiles/testMatrices.dir/testMatrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testMatrices.cpp
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o
+[  2%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o
+make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/build
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DEigenSolvers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_EIGENSOLVERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/build
+make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDBoost_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDBOOST_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o -MF CMakeFiles/RDBoost.dir/Wrap.cpp.o.d -o CMakeFiles/RDBoost.dir/Wrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -MF CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o.d -o CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testConcurrentQueue.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o -MF CMakeFiles/testRDValue.dir/testRDValue.cpp.o.d -o CMakeFiles/testRDValue.dir/testRDValue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testRDValue.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  2%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Query/CMakeFiles/testQuery.dir/test.cpp.o -MF CMakeFiles/testQuery.dir/test.cpp.o.d -o CMakeFiles/testQuery.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Query/test.cpp
+[  2%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -MF CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o.d -o CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_dict.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o -MF CMakeFiles/DataStructs.dir/base64.cpp.o.d -o CMakeFiles/DataStructs.dir/base64.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/base64.cpp
-[  3%] Linking CXX executable testConcurrentQueue
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o -MF CMakeFiles/testMatrices.dir/testMatrices.cpp.o.d -o CMakeFiles/testMatrices.dir/testMatrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testMatrices.cpp
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o
+[  2%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -MF CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o.d -o CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_logs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/Catalog.cpp
+[  2%] Building CXX object Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -MF CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o.d -o CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp
+[  2%] Linking CXX executable testConcurrentQueue
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConcurrentQueue.dir/link.txt --verbose=1
+[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/SparseBitVect.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConcurrentQueue.dir/link.d CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -o testConcurrentQueue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  3%] Built target testConcurrentQueue
-make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend
+[  2%] Built target testConcurrentQueue
+make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs/CMakeFiles/Catalogs.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/build
+make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/Catalog.cpp
+[  2%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/DistPicker.cpp
+[  3%] Linking CXX executable testMatCalc
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1
 [  3%] Linking CXX shared library ../../../lib/libRDKitEigenSolvers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_link_script CMakeFiles/EigenSolvers.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/EigenSolvers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitEigenSolvers.so.1 -o ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o  ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o -MF CMakeFiles/DataStructs.dir/BitOps.cpp.o.d -o CMakeFiles/DataStructs.dir/BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitOps.cpp
 [  3%] Built target EigenSolvers
-make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Query /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query/CMakeFiles/testQuery.dir/DependInfo.cmake "--color="
+[  3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/MaxMinPicker.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatCalc.dir/link.d CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -o testMatCalc  ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  3%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Query/CMakeFiles/testQuery.dir/test.cpp.o -MF CMakeFiles/testQuery.dir/test.cpp.o.d -o CMakeFiles/testQuery.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Query/test.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteDistMat.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteValueVect.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/FPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/FPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/FPBReader.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/MultiFPBReader.cpp
-[  4%] Linking CXX executable logTestsCatch
+[  3%] Built target testMatCalc
+[  3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/HierarchicalClusterPicker.cpp
+[  4%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogParams.cpp
+[  4%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogEntry.cpp
+[  5%] Linking CXX executable logTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/logTestsCatch.dir/link.txt --verbose=1
+[  5%] Linking CXX shared library ../../lib/libRDKitCatalogs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/logTestsCatch.dir/link.d CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -o logTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  4%] Built target logTestsCatch
-make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/DependInfo.cmake "--color="
+[  5%] Built target logTestsCatch
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/ExplicitBitVect.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2024.09.6 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  4%] Building CXX object Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -MF CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o.d -o CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp
-[  4%] Linking CXX executable testMatrices
+[  6%] Built target Catalogs
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o -MF CMakeFiles/DataStructs.dir/Utils.cpp.o.d -o CMakeFiles/DataStructs.dir/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Utils.cpp
+[  6%] Linking CXX executable testMatrices
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o -MF CMakeFiles/DataStructs.dir/base64.cpp.o.d -o CMakeFiles/DataStructs.dir/base64.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/base64.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatrices.dir/link.d CMakeFiles/testMatrices.dir/testMatrices.cpp.o -o testMatrices  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  4%] Built target testMatrices
-make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend
+[  6%] Built target testMatrices
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o -MF CMakeFiles/DataStructs.dir/BitOps.cpp.o.d -o CMakeFiles/DataStructs.dir/BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitOps.cpp
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteDistMat.cpp
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteValueVect.cpp
+[  7%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1
+[  7%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/FPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/FPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/FPBReader.cpp
+[  7%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/MultiFPBReader.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSimDivPickers.so.1 -o ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o  ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  7%] Built target SimDivPickers
+make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build
+make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  4%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/DistPicker.cpp
-[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogParams.cpp
-[  5%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
+[  8%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/testPickers.cpp
+[  8%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/RealValueVect.cpp
+[  8%] Linking CXX executable testQuery
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  8%] Built target testQuery
+[  8%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDBoost.dir/link.txt --verbose=1
-[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogEntry.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDBoost.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDBoost.so.1 -o ../../lib/libRDKitRDBoost.so.1.2024.09.6 CMakeFiles/RDBoost.dir/Wrap.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../lib/libRDKitRDBoost.so.1 ../../lib/libRDKitRDBoost.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  5%] Built target RDBoost
+[  8%] Built target RDBoost
 make  -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  6%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdBase_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o -MF CMakeFiles/rdBase.dir/RDBase.cpp.o.d -o CMakeFiles/rdBase.dir/RDBase.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap/RDBase.cpp
-[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/RealValueVect.cpp
-[  6%] Linking CXX shared library ../../lib/libRDKitCatalogs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2024.09.6 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  6%] Built target Catalogs
 make  -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build
+[  9%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdBase_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o -MF CMakeFiles/rdBase.dir/RDBase.cpp.o.d -o CMakeFiles/rdBase.dir/RDBase.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap/RDBase.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  6%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o
+[  9%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DClustering_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o -MF CMakeFiles/Clustering.dir/Clustering.cpp.o.d -o CMakeFiles/Clustering.dir/Clustering.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/Clustering.cpp
-[  7%] Linking CXX executable testMatCalc
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1
-[  7%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/MaxMinPicker.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatCalc.dir/link.d CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -o testMatCalc  ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  7%] Built target testMatCalc
-[  7%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/HierarchicalClusterPicker.cpp
-[  7%] Linking CXX executable dictTestsCatch
+[  9%] Linking CXX executable dictTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/dictTestsCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/dictTestsCatch.dir/link.d CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -o dictTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  7%] Built target dictTestsCatch
-[  7%] Linking CXX executable testRDValue
+[  9%] Built target dictTestsCatch
+[  9%] Linking CXX executable testSimDivPickers
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSimDivPickers.dir/link.d CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -o testSimDivPickers  ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  9%] Built target testSimDivPickers
+[  9%] Linking CXX executable testRDValue
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDValue.dir/link.d CMakeFiles/testRDValue.dir/testRDValue.cpp.o -o testRDValue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  7%] Built target testRDValue
-[  7%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
+[  9%] Built target testRDValue
+[  9%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1
-[  7%] Linking CXX executable testQuery
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDataStructs.so.1 -o ../../lib/libRDKitDataStructs.so.1.2024.09.6 CMakeFiles/DataStructs.dir/BitVect.cpp.o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o CMakeFiles/DataStructs.dir/Utils.cpp.o CMakeFiles/DataStructs.dir/base64.cpp.o CMakeFiles/DataStructs.dir/BitOps.cpp.o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/DataStructs.dir/FPBReader.cpp.o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  7%] Built target DataStructs
-[  7%] Built target testQuery
+[  9%] Built target DataStructs
 make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/depend
+make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/depend
+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend
+make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/depend
+make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/testDataStructs.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/testFPB.dir/DependInfo.cmake "--color="
+make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/testMultiFPB.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/catchDataStructs.dir/DependInfo.cmake "--color="
-[  8%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DependInfo.cmake "--color="
-make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/catchDataStructs.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
+make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/DependInfo.cmake "--color="
+make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build
+make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/build
+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/build
+make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build
-[  8%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o
-[  8%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.cpp
-[  8%] Building CXX object Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testFPB.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testDatastructs.cpp
-[  8%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o
-make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testMultiFPB.cpp
+make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
+[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  9%] Building CXX object Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testMultiFPB.cpp
+make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testDatastructs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 10%] Building CXX object Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testFPB.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -MF CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o.d -o CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/catch_tests.cpp
-[  9%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
+[ 10%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -MF CMakeFiles/cDataStructs.dir/DataStructs.cpp.o.d -o CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DataStructs.cpp
-[  9%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
+[ 10%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/MaxMinPicker.cpp
+[ 10%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
-[  9%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/InfoBitRanker.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSimDivPickers.so.1 -o ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o  ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[  9%] Built target SimDivPickers
-make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/testPickers.cpp
-[ 10%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 10%] Built target Clustering
-make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/catch_tests.cpp
 [ 10%] Linking CXX executable testDict
@@ -2777,109 +2808,100 @@
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDict.dir/link.d CMakeFiles/testDict.dir/testDict.cpp.o -o testDict  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 10%] Built target testDict
-make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend
+make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build
+make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 10%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/MaxMinPicker.cpp
-[ 10%] Linking CXX executable testSimDivPickers
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSimDivPickers.dir/link.d CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -o testSimDivPickers  ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 10%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/InfoBitRanker.cpp
+[ 10%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 10%] Built target testSimDivPickers
+[ 10%] Built target Clustering
 [ 10%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/LeaderPicker.cpp
+[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.cpp
 [ 10%] Linking CXX executable catchDataStructs
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/catchDataStructs.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/catchDataStructs.dir/link.d CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -o catchDataStructs  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 10%] Built target catchDataStructs
-[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.cpp
 [ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.cpp
-[ 11%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
+[ 11%] Linking CXX executable pickersTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickersTestsCatch.dir/link.d CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -o pickersTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 11%] Built target pickersTestsCatch
+[ 12%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformGrid3D.cpp
+[ 12%] Linking CXX executable testFPB
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFPB.dir/link.d CMakeFiles/testFPB.dir/testFPB.cpp.o -o testFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 12%] Built target testFPB
+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
+[ 12%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
+[ 12%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMetricMatrixCalc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o  ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 12%] Built target rdMetricMatrixCalc
+[ 12%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -MF CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/GridUtils.cpp
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DiscreteValueVect.cpp
+[ 13%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_link_script CMakeFiles/InfoTheory.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/InfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitInfoTheory.so.1 -o ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 11%] Built target InfoTheory
+[ 13%] Built target InfoTheory
 make  -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 11%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
+[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
-[ 12%] Linking CXX executable pickersTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickersTestsCatch.dir/link.d CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -o pickersTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 13%] Linking CXX executable testMultiFPB
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultiFPB.dir/link.txt --verbose=1
+[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -MF CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/SparseIntVect.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMultiFPB.dir/link.d CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -o testMultiFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 12%] Built target pickersTestsCatch
+[ 13%] Built target testMultiFPB
 make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Data/CMakeFiles/cQuantize.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 12%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
+[ 13%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcQuantize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o -MF CMakeFiles/cQuantize.dir/cQuantize.cpp.o.d -o CMakeFiles/cQuantize.dir/cQuantize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Data/cQuantize.cpp
-[ 12%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
-[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformGrid3D.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMetricMatrixCalc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o  ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 13%] Built target rdMetricMatrixCalc
-[ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
-[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.cpp
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
-[ 13%] Linking CXX executable testFPB
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DiscreteValueVect.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFPB.dir/link.d CMakeFiles/testFPB.dir/testFPB.cpp.o -o testFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 13%] Built target testFPB
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -MF CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/SparseIntVect.cpp
-[ 13%] Linking CXX executable testMultiFPB
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultiFPB.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMultiFPB.dir/link.d CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -o testMultiFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 13%] Built target testMultiFPB
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/RealValueVect.cpp
 [ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
-[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -MF CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/GridUtils.cpp
-[ 13%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1
-[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -MF CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o  ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 13%] Built target cQuantize
-[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
+[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/RealValueVect.cpp
 [ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_SparseBV.cpp
-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_BitOps.cpp
 [ 14%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDGeometryLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeometryLib.so.1 -o ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 14%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
 [ 14%] Built target RDGeometryLib
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -MF CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp
+[ 14%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
 make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/GraphMol.dir/DependInfo.cmake "--color="
@@ -2901,13 +2923,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 14%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.cpp
-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_FPB.cpp
-[ 14%] Linking CXX executable testDataStructs
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDataStructs.dir/link.d CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 14%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1
+[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o  ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 14%] Built target testDataStructs
+[ 14%] Built target cQuantize
 make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color="
@@ -2916,6 +2938,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 14%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testTransforms.cpp
+[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_BitOps.cpp
+[ 14%] Linking CXX executable testDataStructs
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
+[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_FPB.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDataStructs.dir/link.d CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 14%] Built target testDataStructs
 make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake "--color="
@@ -2924,23 +2955,16 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 14%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testGrid.cpp
-[ 14%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 14%] Built target rdInfoTheory
 make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/testRealValueGrid.dir/DependInfo.cmake "--color="
+[ 14%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_Utils.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1
 [ 14%] Building CXX object Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -MF CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o.d -o CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testRealValueGrid.cpp
-[ 14%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Alignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2024.09.6 CMakeFiles/Alignment.dir/AlignPoints.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
@@ -2953,13 +2977,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 14%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/catch_tests.cpp
-[ 14%] Linking CXX executable testGrid
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGrid.dir/link.d CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 14%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryAtom.cpp
-[ 14%] Built target testGrid
+[ 14%] Built target rdInfoTheory
 make  -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake "--color="
@@ -2976,11 +2998,18 @@
 make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/CMakeFiles/testConrec.dir/DependInfo.cmake "--color="
+[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_Utils.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 14%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o -MF CMakeFiles/testConrec.dir/testConrec.cpp.o.d -o CMakeFiles/testConrec.dir/testConrec.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testConrec.cpp
+[ 14%] Linking CXX executable testGrid
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGrid.dir/link.d CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 14%] Built target testGrid
 make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/DependInfo.cmake "--color="
@@ -2989,11 +3018,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 15%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/testAlignment.cpp
-[ 15%] Linking CXX executable testRealValueGrid
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRealValueGrid.dir/link.d CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -o testRealValueGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 15%] Linking CXX executable geometryTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/geometryTestsCatch.dir/link.d CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 15%] Built target testRealValueGrid
+[ 15%] Built target geometryTestsCatch
 make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/DependInfo.cmake "--color="
@@ -3002,11 +3031,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 15%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
-[ 15%] Linking CXX executable geometryTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/geometryTestsCatch.dir/link.d CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryAtom.cpp
+[ 15%] Linking CXX executable testRealValueGrid
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRealValueGrid.dir/link.d CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -o testRealValueGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 15%] Built target geometryTestsCatch
+[ 15%] Built target testRealValueGrid
 make  -f Code/Features/CMakeFiles/testBaseFeatures.dir/build.make Code/Features/CMakeFiles/testBaseFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Features /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Features /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Features/CMakeFiles/testBaseFeatures.dir/DependInfo.cmake "--color="
@@ -3017,8 +3048,6 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Features && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Features/CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Features/testFeatures.cpp
 [ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformGrid3D.cpp
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.cpp
 [ 16%] Linking CXX executable testAlignment
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAlignment.dir/link.d CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment  ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -3032,24 +3061,26 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 16%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemicalFeatures_EXPORTS -DRDKIT_CHEMICALFEATURES_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/FreeChemicalFeature.cpp
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o -MF CMakeFiles/GraphMol.dir/Bond.cpp.o.d -o CMakeFiles/GraphMol.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Bond.cpp
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.cpp
+[ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformRealValueGrid3D.cpp
 [ 17%] Linking CXX executable testConrec
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConrec.dir/link.d CMakeFiles/testConrec.dir/testConrec.cpp.o -o testConrec  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 17%] Built target testConrec
-[ 17%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformRealValueGrid3D.cpp
+[ 17%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/rdGeometry.cpp
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.cpp
 [ 17%] Linking CXX executable testBaseFeatures
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Features && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBaseFeatures.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBaseFeatures.dir/link.d CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -o testBaseFeatures  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 17%] Built target testBaseFeatures
-[ 17%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/rdGeometry.cpp
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o -MF CMakeFiles/GraphMol.dir/Bond.cpp.o.d -o CMakeFiles/GraphMol.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Bond.cpp
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.cpp
 [ 17%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAlignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Numerics/rdAlignment.so CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o  ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -3064,10 +3095,8 @@
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemicalFeatures.so.1 -o ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
 [ 17%] Built target ChemicalFeatures
 make  -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
@@ -3075,6 +3104,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 17%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -MF CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o.d -o CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/testChemicalFeatures.cpp
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.cpp
 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PeriodicTable.cpp
 [ 18%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
@@ -3083,13 +3114,15 @@
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp:1292:36: warning: unused parameter 'mol' [-Wunused-parameter]
  1292 | void findRingFamilies(const ROMol &mol) {
       |                       ~~~~~~~~~~~~~^~~
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/atomic_data.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cDataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 18%] Built target cDataStructs
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/atomic_data.cpp
 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o -MF CMakeFiles/GraphMol.dir/QueryOps.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.cpp
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp
 In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
                  from /usr/include/c++/14/bits/stl_tree.h:63,
                  from /usr/include/c++/14/map:62,
@@ -3104,8 +3137,6 @@
       |     ^~~~~~~~~
 [ 18%] Linking CXX executable testChemicalFeatures
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemicalFeatures.dir/link.d CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -o testChemicalFeatures  ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 18%] Built target testChemicalFeatures
@@ -3113,15 +3144,15 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o -MF CMakeFiles/GraphMol.dir/Canon.cpp.o.d -o CMakeFiles/GraphMol.dir/Canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Canon.cpp
 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AtomIterators.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/BondIterators.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Aromaticity.cpp
 [ 18%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Geometry/rdGeometry.so CMakeFiles/rdGeometry.dir/Point.cpp.o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 18%] Built target rdGeometry
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Aromaticity.cpp
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/BondIterators.cpp
 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Kekulize.cpp
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp: In function 'void RDKit::streamReadPositiveChar(std::istream&, char&, int)':
@@ -3134,21 +3165,21 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o -MF CMakeFiles/GraphMol.dir/AddHs.cpp.o.d -o CMakeFiles/GraphMol.dir/AddHs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AddHs.cpp
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Matrices.cpp
-[ 19%] Linking CXX shared module ../../../rdkit/rdBase.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdBase.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o  ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 19%] Built target rdBase
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.cpp
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RingInfo.cpp
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o -MF CMakeFiles/GraphMol.dir/Conformer.cpp.o.d -o CMakeFiles/GraphMol.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Conformer.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Renumber.cpp
+[ 19%] Linking CXX shared module ../../../rdkit/rdBase.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdBase.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o  ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 19%] Built target rdBase
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
+[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -MF CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o.d -o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AdjustQuery.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Renumber.cpp
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Resonance.cpp
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o
@@ -3176,168 +3207,148 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 20%] Built target GraphMol
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/depend
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend
+make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/depend
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/depend
+make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/tableTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/depend
-[ 20%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolTransforms_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLTRANSFORMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -MF CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o.d -o CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/MolTransforms.cpp
-[ 21%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGenericGroups_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERICGROUPS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -MF CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o.d -o CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/GenericGroups.cpp
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParse.cpp
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/tableTestsCatch.dir/DependInfo.cmake "--color="
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend
-[ 21%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build
+[ 20%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TRAJECTORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o -MF CMakeFiles/Trajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/Trajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory/Trajectory.cpp
-make  -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/depend
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmartsWrite.cpp
-[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 21%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
 make  -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGenericGroups_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERICGROUPS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -MF CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o.d -o CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/GenericGroups.cpp
+make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParse.cpp
+make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 21%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolTransforms_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLTRANSFORMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -MF CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o.d -o CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/MolTransforms.cpp
+[ 21%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o
+[ 21%] Building CXX object Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -MF CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o.d -o CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_periodictable.cpp
 [ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/Subgraphs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp
 [ 21%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o
-[ 21%] Building CXX object Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -MF CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o.d -o CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_periodictable.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerCharges.cpp
-[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o
+[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
+[ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o -MF CMakeFiles/MolInterchange.dir/Parser.cpp.o.d -o CMakeFiles/MolInterchange.dir/Parser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Parser.cpp
+[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
-[ 21%] Linking CXX executable tableTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/tableTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tableTestsCatch.dir/link.d CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -o tableTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 21%] Built target tableTestsCatch
-make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 21%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp
-[ 21%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so
+[ 23%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1
-[ 21%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o
+[ 23%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerParams.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Trajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTrajectory.so.1 -o ../../../lib/libRDKitTrajectory.so.1.2024.09.6 CMakeFiles/Trajectory.dir/Trajectory.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 21%] Built target Trajectory
-make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o -MF CMakeFiles/MolInterchange.dir/Parser.cpp.o.d -o CMakeFiles/MolInterchange.dir/Parser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Parser.cpp
-[ 22%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
-[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp
-[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smarts.tab.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Built target MolTransforms
+[ 23%] Built target Trajectory
 make  -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolCatalog.so.1 -o ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so
+[ 23%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o -MF CMakeFiles/SLNParse.dir/SLNParse.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParse.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/PartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Built target PartialCharges
+[ 23%] Built target MolCatalog
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
+[ 23%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o -MF CMakeFiles/rdqueries.dir/rdqueries.cpp.o.d -o CMakeFiles/rdqueries.dir/rdqueries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdqueries.cpp
-[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GenericGroups.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
+[ 23%] Linking CXX executable tableTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/tableTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tableTestsCatch.dir/link.d CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -o tableTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Built target GenericGroups
+[ 23%] Built target tableTestsCatch
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o
+[ 23%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Trajectory.cpp
-[ 23%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
-[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smiles.tab.cpp
-[ 23%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolCatalog.so.1 -o ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so
+[ 23%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmartsWrite.cpp
+[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 23%] Built target MolCatalog
+[ 23%] Built target MolTransforms
 make  -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/DependInfo.cmake "--color="
@@ -3346,347 +3357,334 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 23%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp
-[ 23%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
-[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Subgraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 23%] Built target Subgraphs
-make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color="
+[ 23%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/PartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 23%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructMatch.cpp
-[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 23%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o -MF CMakeFiles/rdqueries.dir/Queries.cpp.o.d -o CMakeFiles/rdqueries.dir/Queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Queries.cpp
-[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
-[ 24%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp
-[ 25%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructUtils.cpp
-[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
-[ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.cpp
-[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
-[ 27%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdTrajectory.cpp
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
+[ 23%] Built target PartialCharges
 make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
+[ 23%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/BFGSOpt.cpp
-[ 27%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/sln.tab.cpp
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-[ 27%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/LinearSearch.cpp
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 27%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SmilesParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
+[ 23%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GenericGroups.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Built target SmilesParse
+[ 23%] Built target GenericGroups
 make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
+[ 23%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
-[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
-[ 27%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Writer.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdtrajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdtrajectory.so CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 23%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o -MF CMakeFiles/rdqueries.dir/Queries.cpp.o.d -o CMakeFiles/rdqueries.dir/Queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Queries.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp
+[ 23%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/LinearSearch.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Subgraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Built target rdtrajectory
+[ 23%] Built target Subgraphs
 make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
+[ 23%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
-[ 27%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
+[ 24%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdTrajectory.cpp
+[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
+[ 24%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp
+[ 24%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Optimizer.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitOptimizer.so.1 -o ../../../lib/libRDKitOptimizer.so.1.2024.09.6 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Built target Optimizer
+[ 24%] Built target Optimizer
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
+[ 24%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
-[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 24%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.cpp
+[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smarts.tab.cpp
+[ 25%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdPartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdPartialCharges.so CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o  ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Built target rdChemicalFeatures
+[ 25%] Built target rdPartialCharges
 make  -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
+[ 25%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolCatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -MF CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o.d -o CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
-[ 28%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/lex.yysln.cpp
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-[ 28%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructMatch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
+[ 25%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Writer.cpp
+[ 25%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
+[ 26%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdtrajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdtrajectory.so CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 28%] Built target SubstructMatch
+[ 26%] Built target rdtrajectory
+make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 26%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructMatch.cpp
+[ 26%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smiles.tab.cpp
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
+[ 26%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 26%] Built target rdChemicalFeatures
 make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
+[ 26%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/testOptimizer.cpp
-[ 29%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1
-[ 29%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
-[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdPartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdPartialCharges.so CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o  ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/sln.tab.cpp
+[ 26%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 29%] Built target rdPartialCharges
+[ 26%] Built target ShapeHelpers
 make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
+[ 26%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o -MF CMakeFiles/ForceField.dir/ForceField.cpp.o.d -o CMakeFiles/ForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/ForceField.cpp
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
+[ 26%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o  ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 26%] Built target rdMolTransforms
+make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
+make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 30%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/cptest.cpp
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
-[ 30%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
+[ 26%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -MF CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o.d -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+[ 26%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
+[ 26%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdqueries.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 30%] Built target rdqueries
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
+[ 26%] Built target rdqueries
+[ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
+[ 27%] Linking CXX executable testOptimizer
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer  ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 27%] Built target testOptimizer
+[ 27%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraint.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraints.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraint.cpp
+[ 28%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o  ../../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 28%] Built target rdMolCatalog
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraints.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
+[ 28%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/PositionConstraint.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 28%] Built target MolInterchange
+make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
+make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 30%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/querytest.cpp
-[ 30%] Linking CXX executable testOptimizer
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer  ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 28%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Nonbonded.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.cpp
+[ 28%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1
+[ 29%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/lex.yysln.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SmilesParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 29%] Built target SmilesParse
+make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 30%] Built target testOptimizer
+make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 29%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/cptest.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionAngle.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Params.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Utils.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.cpp
+[ 31%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructUtils.cpp
+[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/AngleBend.cpp
+[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o  ../../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 31%] Built target rdShapeHelpers
 make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 31%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
+[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/itertest.cpp
-[ 31%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2024.09.6 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/BondStretch.cpp
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.cpp
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.cpp
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.cpp
+/build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp: In function 'std::pair<double, double> ForceFields::MMFF::Utils::calcStbnForceConstants(const ForceFields::MMFF::MMFFStbn*)':
+/build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp:27:35: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
+   27 |     const MMFFStbn *mmffStbnParams) {
+      |                                   ^
+[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 31%] Built target SLNParse
+[ 32%] Built target rdMolInterchange
 make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 31%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
+[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/memtest1.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraint.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 31%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraints.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target ShapeHelpers
-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_moliterators.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraint.cpp
-[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o  ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target rdMolTransforms
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.cpp
 make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color="
-[ 32%] Linking CXX executable graphmolcpTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 32%] Building CXX object Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_queries.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolcpTest.dir/link.d CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target graphmolcpTest
+[ 32%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1
+[ 32%] Linking CXX executable graphmolcpTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1
 make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2024.09.6 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
 [ 32%] Building CXX object Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -MF CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o.d -o CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molbundle.cpp
-[ 32%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target MolInterchange
+[ 32%] Built target SLNParse
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolcpTest.dir/link.d CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test2.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraints.cpp
-[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o  ../../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target rdMolCatalog
-make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o -MF CMakeFiles/FilterCatalog.dir/Filters.cpp.o.d -o CMakeFiles/FilterCatalog.dir/Filters.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Filters.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/PositionConstraint.cpp
-[ 32%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/CIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o CMakeFiles/CIPLabeler.dir/Node.cpp.o CMakeFiles/CIPLabeler.dir/Edge.cpp.o CMakeFiles/CIPLabeler.dir/Sort.cpp.o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
-[ 32%] Linking CXX executable graphmolMemTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target CIPLabeler
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMemTest1.dir/link.d CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target graphmolMemTest1
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smatest.cpp
-[ 32%] Linking CXX executable graphmolIterTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolIterTest.dir/link.d CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -o graphmolIterTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target graphmolIterTest
+[ 32%] Built target graphmolcpTest
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/DependInfo.cmake "--color="
+[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -MF CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o.d -o CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/v2catch_tests.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.cpp
-[ 32%] Linking CXX executable moliteratorTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moliteratorTestsCatch.dir/link.d CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target moliteratorTestsCatch
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/DependInfo.cmake "--color="
@@ -3695,13 +3693,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 32%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o -MF CMakeFiles/testSubgraphs1.dir/test1.cpp.o.d -o CMakeFiles/testSubgraphs1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test1.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Nonbonded.cpp
-[ 32%] Linking CXX executable queryTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/queryTestsCatch.dir/link.d CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -o queryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
+[ 32%] Linking CXX executable graphmolIterTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolIterTest.dir/link.d CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -o graphmolIterTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target queryTestsCatch
+[ 32%] Built target graphmolIterTest
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake "--color="
@@ -3710,47 +3708,38 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 32%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o -MF CMakeFiles/testSubgraphs2.dir/test2.cpp.o.d -o CMakeFiles/testSubgraphs2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test2.cpp
-[ 32%] Linking CXX executable smiTest2
+[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
+[ 33%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
+[ 33%] Linking CXX executable smiTest2
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest2.dir/link.d CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target smiTest2
+[ 33%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+[ 33%] Built target smiTest2
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
+[ 33%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/catch_tests.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.cpp
-[ 32%] Linking CXX executable molbundleTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molbundleTestsCatch.dir/link.d CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -o molbundleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Built target molbundleTestsCatch
-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-[ 32%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalog.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.cpp
-[ 33%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionAngle.cpp
-[ 33%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Params.cpp
-[ 33%] Linking CXX executable graphmolqueryTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolqueryTest.dir/link.d CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -o graphmolqueryTest  ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 33%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
+[ 33%] Linking CXX executable graphmolMemTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
+[ 33%] Linking CXX executable queryTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1
+[ 33%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMemTest1.dir/link.d CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 33%] Built target graphmolqueryTest
+[ 33%] Built target graphmolMemTest1
 make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color="
@@ -3759,634 +3748,676 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 33%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o -MF CMakeFiles/testPartialCharges.dir/test1.cpp.o.d -o CMakeFiles/testPartialCharges.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/test1.cpp
-[ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/queryTestsCatch.dir/link.d CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -o queryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 33%] Built target queryTestsCatch
+make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 33%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -MF CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o.d -o CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
 [ 34%] Linking CXX executable v2smiTestCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2smiTestCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2smiTestCatch.dir/link.d CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -o v2smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 34%] Built target v2smiTestCatch
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
+[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 34%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
+[ 35%] Linking CXX shared library ../../lib/libRDKitForceField.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructMatch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Built target SubstructMatch
+make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build
+make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Utils.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.cpp
-[ 34%] Linking CXX executable subgraphsCatch
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/AngleBend.cpp
-[ 34%] Linking CXX executable testSubgraphs2
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs2.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/subgraphsCatch.dir/link.d CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 35%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.cpp
+[ 35%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target subgraphsCatch
-make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend
+[ 35%] Built target ForceField
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -MF CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o.d -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
+[ 35%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/querytest.cpp
+[ 35%] Linking CXX executable molbundleTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
+[ 35%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molbundleTestsCatch.dir/link.d CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -o molbundleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Built target molbundleTestsCatch
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_moliterators.cpp
+make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o -MF CMakeFiles/FilterCatalog.dir/Filters.cpp.o.d -o CMakeFiles/FilterCatalog.dir/Filters.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Filters.cpp
+[ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalog.cpp
+[ 35%] Linking CXX executable testSubgraphs2
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs2.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubgraphs2.dir/link.d CMakeFiles/testSubgraphs2.dir/test2.cpp.o -o testSubgraphs2  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target testSubgraphs2
-make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake "--color="
+[ 35%] Built target testSubgraphs2
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/BondStretch.cpp
-[ 34%] Linking CXX executable testSubgraphs1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
-[ 34%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp
-[ 34%] Linking CXX executable testPartialCharges
+[ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.cpp
+[ 35%] Linking CXX executable subgraphsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
+[ 35%] Linking CXX executable testPartialCharges
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPartialCharges.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubgraphs1.dir/link.d CMakeFiles/testSubgraphs1.dir/test1.cpp.o -o testSubgraphs1  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 35%] Linking CXX executable testSubgraphs1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/subgraphsCatch.dir/link.d CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target testSubgraphs1
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend
+[ 35%] Built target subgraphsCatch
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color="
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPartialCharges.dir/link.d CMakeFiles/testPartialCharges.dir/test1.cpp.o -o testPartialCharges  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smatest.cpp
+[ 35%] Built target testPartialCharges
+make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build
+make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target testPartialCharges
-make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubgraphs1.dir/link.d CMakeFiles/testSubgraphs1.dir/test1.cpp.o -o testSubgraphs1  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Built target testSubgraphs1
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color="
-[ 34%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_REDUCEDGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -MF CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o.d -o CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.cpp
-[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
-/build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp: In function 'std::pair<double, double> ForceFields::MMFF::Utils::calcStbnForceConstants(const ForceFields::MMFF::MMFFStbn*)':
-/build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp:27:35: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
-   27 |     const MMFFStbn *mmffStbnParams) {
-      |                                   ^
-[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.cpp
-[ 34%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp
-[ 34%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 35%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
+[ 35%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/CIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o CMakeFiles/CIPLabeler.dir/Node.cpp.o CMakeFiles/CIPLabeler.dir/Edge.cpp.o CMakeFiles/CIPLabeler.dir/Sort.cpp.o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target rdCIPLabeler
+[ 35%] Built target CIPLabeler
+make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_REDUCEDGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -MF CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o.d -o CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp
+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o  ../../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 35%] Built target rdSLNParse
 make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o
+[ 35%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o -MF CMakeFiles/testSLNParse.dir/test.cpp.o.d -o CMakeFiles/testSLNParse.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/test.cpp
-[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairs.cpp
-[ 34%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o  ../../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 35%] Linking CXX executable moliteratorTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
+[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moliteratorTestsCatch.dir/link.d CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target rdMolInterchange
-make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend
-[ 34%] Built target rdShapeHelpers
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color="
+[ 36%] Built target moliteratorTestsCatch
 make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -MF CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o.d -o CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
-[ 34%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
+[ 36%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -MF CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o.d -o CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Abbreviations.cpp
-[ 34%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
+[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
+[ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
+[ 36%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 36%] Built target MolAlign
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+[ 36%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
+[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp
+[ 36%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1
-[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitReducedGraphs.so.1 -o ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
-[ 34%] Built target ReducedGraphs
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+[ 36%] Built target ReducedGraphs
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.cpp
+[ 36%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
+[ 36%] Linking CXX executable graphmolqueryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
+[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolqueryTest.dir/link.d CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -o graphmolqueryTest  ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 36%] Built target graphmolqueryTest
 make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
+[ 36%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o -MF CMakeFiles/testReducedGraphs.dir/test1.cpp.o.d -o CMakeFiles/testReducedGraphs.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/test1.cpp
-[ 34%] Linking CXX executable smaTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smaTest1.dir/link.d CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
+[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
+[ 36%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp
+[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp
+[ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
+[ 36%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
+[ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
+[ 36%] Linking CXX executable testReducedGraphs
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Built target smaTest1
+[ 36%] Built target rdCIPLabeler
 make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
-[ 35%] Linking CXX shared library ../../lib/libRDKitForceField.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 35%] Built target ForceField
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
-[ 35%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 35%] Built target MolChemicalFeatures
-make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
-[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.cpp
-[ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o  ../../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 37%] Built target rdSLNParse
-[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
-[ 37%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.cpp
-[ 37%] Linking CXX executable testReducedGraphs
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReducedGraphs.dir/link.d CMakeFiles/testReducedGraphs.dir/test1.cpp.o -o testReducedGraphs  ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 37%] Built target testReducedGraphs
-[ 37%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
-[ 37%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp
-[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
-[ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
-[ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 37%] Built target rdReducedGraphs
-[ 37%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
-[ 37%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 37%] Built target MolAlign
+make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build
+[ 36%] Built target testReducedGraphs
 make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake "--color="
+[ 36%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
+[ 37%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/RDDepictor.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.cpp
-[ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
-[ 39%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
-[ 39%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
-[ 39%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
+[ 37%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/EmbeddedFrag.cpp
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairs.cpp
+[ 37%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1
+[ 37%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Abbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAbbreviations.so.1 -o ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 39%] Built target FragCatalog
+[ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
+[ 37%] Built target Abbreviations
 make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
+[ 38%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCoordGen_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -MF CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o.d -o CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap/rdCoordGen.cpp
-[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
-[ 40%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Abbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAbbreviations.so.1 -o ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FilterCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target Abbreviations
+[ 38%] Built target FilterCatalog
 make  -f Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build.make Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build.make Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
+[ 38%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAbbreviations_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -MF CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o.d -o CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
-[ 40%] Linking CXX executable testSLNParse
+[ 38%] Linking CXX executable smaTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smaTest1.dir/link.d CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 38%] Built target smaTest1
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 39%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
+[ 39%] Linking CXX executable testSLNParse
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSLNParse.dir/link.d CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse  ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target testSLNParse
-[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
-[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
-[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
-[ 40%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
-[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/EmbeddedFrag.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
+[ 39%] Built target testSLNParse
+[ 39%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
+[ 39%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
-[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/DepictUtils.cpp
-[ 40%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target rdMolChemicalFeatures
-[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Templates.cpp
-[ 40%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCoordGen.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdCoordGen.so CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o  /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target rdCoordGen
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp
+[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.cpp
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp: In function 'void RDKit::MMFF::Tools::addStretchBend(const RDKit::ROMol&, RDKit::MMFF::MMFFMolProperties*, ForceFields::ForceField*)':
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp:419:68: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   419 |                 MMFF::Utils::calcStbnForceConstants(&mmffStbnParams);
       |                                                                    ^
-[ 40%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Fingerprints.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2024.09.6 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
+[ 39%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target Fingerprints
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
+[ 39%] Built target rdReducedGraphs
+[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
+[ 39%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
+[ 39%] Built target MolChemicalFeatures
+make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
+make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
-[ 40%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
-[ 40%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAbbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
+[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
+[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.cpp
+[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.cpp
+[ 41%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target rdAbbreviations
-[ 40%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FilterCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
+[ 41%] Built target FragCatalog
+[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
+[ 41%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/DepictUtils.cpp
+[ 41%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Templates.cpp
+[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
+[ 41%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCoordGen.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdCoordGen.so CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o  /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 40%] Built target FilterCatalog
-make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
+[ 41%] Built target rdCoordGen
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.cpp
+[ 41%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAbbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 41%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
-[ 41%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
+[ 41%] Built target rdAbbreviations
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
 [ 41%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceFieldHelpers.so.1 -o ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 41%] Built target ForceFieldHelpers
 make  -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/depend
-make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend
-make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/DistGeometry.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color="
+[ 41%] Building CXX object Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/catch_tests.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
+make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/DistGeometry.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build
+make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistGeomUtils.cpp
+make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build
+[ 41%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceField_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/ForceField.cpp
+make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 41%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
+[ 41%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 41%] Built target rdMolChemicalFeatures
+make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 41%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
-[ 41%] Building CXX object Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/catch_tests.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceField_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/ForceField.cpp
-[ 41%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
-[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o
 [ 41%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistGeomUtils.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInteractionFields_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERACTIONFIELDS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -MF CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o.d -o CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp
-[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContrib.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/TriangleSmooth.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContribs.cpp
-[ 42%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
+[ 41%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Depictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2024.09.6 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o  /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 42%] Built target Depictor
+[ 41%] Built target Depictor
 make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 42%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
+[ 41%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDInchiLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDINCHILIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o -MF CMakeFiles/RDInchiLib.dir/inchi.cpp.o.d -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/inchi.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/ChiralViolationContrib.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/ChiralViolationContribs.cpp
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 42%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
-[ 42%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-[ 43%] Linking CXX executable ForceFieldsCatch
+[ 42%] Linking CXX executable ForceFieldsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ForceFieldsCatch.dir/link.d CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -o ForceFieldsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Built target ForceFieldsCatch
-make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
+[ 42%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
+[ 42%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ForceFieldsCatch.dir/link.d CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -o ForceFieldsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 42%] Built target ForceFieldsCatch
 make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
+[ 42%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/hashfunctions.cpp
-[ 43%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DistGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeometry.so.1 -o ../../lib/libRDKitDistGeometry.so.1.2024.09.6 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Built target DistGeometry
-make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
-[ 43%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInteractionFields.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInteractionFields.so.1 -o ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so
+[ 42%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+[ 42%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/normalize.cpp
+[ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/TriangleSmooth.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Fingerprints.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2024.09.6 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Built target MolInteractionFields
-make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
+[ 43%] Built target Fingerprints
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/testDistGeom.cpp
-[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
+[ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContrib.cpp
+[ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContribs.cpp
+[ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/ChiralViolationContrib.cpp
 [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
-[ 43%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1
+[ 43%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o  ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 43%] Built target rdForceFieldHelpers
-make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color="
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDInchiLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDInchiLib.so.1 -o ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 CMakeFiles/RDInchiLib.dir/inchi.cpp.o  /usr/lib/aarch64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2024.09.6 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o  ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeom_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o -MF CMakeFiles/DistGeom.dir/DistGeom.cpp.o.d -o CMakeFiles/DistGeom.dir/DistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/DistGeom.cpp
-[ 43%] Built target rdMHFPFingerprint
+[ 43%] Built target MolHash
+make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 43%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInteractionFields.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInteractionFields.so.1 -o ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 43%] Built target MolInteractionFields
 make  -f Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build.make Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 43%] Built target RDInchiLib
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build.make Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color="
 [ 44%] Building CXX object Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMIF_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o -MF CMakeFiles/rdMIF.dir/rdMIF.cpp.o.d -o CMakeFiles/rdMIF.dir/rdMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/rdMIF.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 44%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap/pyInchi.cpp
-[ 44%] Linking CXX executable testDistGeom
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeom.dir/link.d CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom  ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
-[ 44%] Built target testDistGeom
-[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFingerprintGenerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 44%] Built target rdFingerprintGenerator
-[ 44%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/normalize.cpp
+[ 44%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/ChiralViolationContribs.cpp
 [ 44%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
-[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
+[ 44%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 44%] Built target rdForceField
-[ 44%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
-[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2024.09.6 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o  ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDInchiLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDInchiLib.so.1 -o ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 CMakeFiles/RDInchiLib.dir/inchi.cpp.o  /usr/lib/aarch64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 44%] Built target MolHash
-make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend
+[ 44%] Built target RDInchiLib
+make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build
+make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 44%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap/pyInchi.cpp
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDepictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDepictor.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o  ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 44%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
 [ 44%] Built target rdDepictor
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
-[ 44%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
-[ 45%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/DistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DistanceGeometry/DistGeom.so CMakeFiles/DistGeom.dir/DistGeom.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 44%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DistGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeometry.so.1 -o ../../lib/libRDKitDistGeometry.so.1.2024.09.6 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o  ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 44%] Built target DistGeometry
+make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
+make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 45%] Built target rdinchi
-[ 45%] Built target DistGeom
-[ 45%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
+make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
+[ 44%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/testDistGeom.cpp
+[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
+[ 44%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeom_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o -MF CMakeFiles/DistGeom.dir/DistGeom.cpp.o.d -o CMakeFiles/DistGeom.dir/DistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/DistGeom.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.cpp
+[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 44%] Built target rdMolHash
+[ 44%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemTransforms.so.1 -o ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o  ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 45%] Built target ChemTransforms
+[ 44%] Built target ChemTransforms
 make  -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -MF CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o.d -o CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CDXMLParser.cpp
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -MF CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/Mol2FileParser.cpp
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfiltercatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o  ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 44%] Built target rdfiltercatalog
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileParser.cpp
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
+[ 44%] Linking CXX executable testDistGeom
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeom.dir/link.d CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom  ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 44%] Built target testDistGeom
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
+[ 45%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o  ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 45%] Built target rdinchi
 [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupWriting.cpp
+[ 45%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/DistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DistanceGeometry/DistGeom.so CMakeFiles/DistGeom.dir/DistGeom.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 45%] Built target DistGeom
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileStereochem.cpp
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileWriter.cpp
+[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFingerprintGenerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 46%] Built target rdMolHash
+[ 46%] Built target rdFingerprintGenerator
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDMolSupplier.cpp
 [ 46%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
@@ -4395,24 +4426,24 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 46%] Built target DistGeomHelpers
+[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDWriter.cpp
 [ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o  ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 46%] Built target rdMIF
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 46%] Built target rdMHFPFingerprint
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesWriter.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o  ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 46%] Built target rdMIF
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TDTMolSupplier.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfiltercatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o  ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 46%] Built target rdfiltercatalog
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TDTWriter.cpp
 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
@@ -4458,104 +4489,104 @@
 make  -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/depend
 make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/depend
 make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/CMakeFiles/testCoordGen.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake "--color="
-make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/build
-[ 48%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/testUFFForceField.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build
-[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o
-[ 49%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/test.cpp
-make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build
+make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test1.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/testSGroup.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/depend
-make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/depend
-[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o
+make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/molopstest.cpp
-[ 49%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o
-make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/testMMFFForceField.cpp
-make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend
-make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake "--color="
-[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
-make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testChirality.cpp
+[ 48%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/test.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build
+make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/testSGroup.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test1.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/build
+[ 49%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o
+make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/build
+[ 49%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/testUFFForceField.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/testMMFFForceField.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -MF CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o.d -o CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPickler.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testChirality.cpp
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -MF CMakeFiles/hanoiTest.dir/hanoitest.cpp.o.d -o CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/hanoitest.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build
 [ 50%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testMolBundle.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/resMolSupplierTest.cpp
 [ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -MF CMakeFiles/hanoiTest.dir/hanoitest.cpp.o.d -o CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/hanoitest.cpp
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testMolBundle.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPicklerGlobalSettings.cpp
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o -MF CMakeFiles/testSGroup.dir/testSGroup.cpp.o.d -o CMakeFiles/testSGroup.dir/testSGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testSGroup.cpp
-[ 51%] Linking CXX executable molBundleTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molBundleTest.dir/link.d CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -o molBundleTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/molopstest.cpp
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/resMolSupplierTest.cpp
+[ 51%] Linking CXX executable resMolSupplierTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target molBundleTest
+[ 51%] Built target resMolSupplierTest
 make  -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color="
@@ -4564,13 +4595,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test-valgrind.cpp
-[ 51%] Linking CXX executable resMolSupplierTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1
-[ 51%] Linking CXX executable graphmoltestPicklerGlobalSetting
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 51%] Linking CXX executable molBundleTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molBundleTest.dir/link.d CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -o molBundleTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target resMolSupplierTest
+[ 51%] Built target molBundleTest
 make  -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/DependInfo.cmake "--color="
@@ -4579,9 +4608,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -MF CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o.d -o CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_graphmol.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.d CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 51%] Linking CXX executable testUFFForceField
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
+[ 51%] Linking CXX executable hanoiTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceField.dir/link.d CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target graphmoltestPicklerGlobalSetting
+[ 51%] Built target testUFFForceField
 make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/DependInfo.cmake "--color="
@@ -4590,11 +4623,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -MF CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o.d -o CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_organometallics.cpp
-[ 51%] Linking CXX executable testCoordGen
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoordGen.dir/link.d CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen  /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hanoiTest.dir/link.d CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target testCoordGen
+[ 51%] Built target hanoiTest
 make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/DependInfo.cmake "--color="
@@ -4603,13 +4634,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -MF CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o.d -o CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_sgroups.cpp
-[ 51%] Linking CXX executable hanoiTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
-[ 51%] Linking CXX executable testUFFForceField
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hanoiTest.dir/link.d CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 51%] Linking CXX executable testCoordGen
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoordGen.dir/link.d CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen  /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target hanoiTest
+[ 51%] Built target testCoordGen
 make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/DependInfo.cmake "--color="
@@ -4618,9 +4647,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -MF CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o.d -o CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_adjustquery.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceField.dir/link.d CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 51%] Linking CXX executable graphmoltestPicklerGlobalSetting
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.d CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target testUFFForceField
+[ 51%] Built target graphmoltestPicklerGlobalSetting
 make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/DependInfo.cmake "--color="
@@ -4655,11 +4686,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -MF CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o.d -o CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_pickles.cpp
-[ 51%] Linking CXX executable graphmolTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTest1.dir/link.d CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 51%] Linking CXX executable graphmolOrganometallicsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolOrganometallicsCatch.dir/link.d CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target graphmolTest1
+[ 51%] Built target graphmolOrganometallicsCatch
 make  -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/DependInfo.cmake "--color="
@@ -4668,50 +4699,54 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -MF CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o.d -o CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molops.cpp
-[ 51%] Linking CXX executable graphmolOrganometallicsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolOrganometallicsCatch.dir/link.d CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 52%] Linking CXX executable testMMFFForceField
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceField.dir/link.d CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -o testMMFFForceField  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 51%] Built target graphmolOrganometallicsCatch
+[ 52%] Built target testMMFFForceField
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
+[ 53%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o -MF CMakeFiles/smiTest1.dir/test.cpp.o.d -o CMakeFiles/smiTest1.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test.cpp
-[ 52%] Linking CXX executable graphmolSGroupCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolSGroupCatch.dir/link.d CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 53%] Linking CXX executable graphmoltestPickler
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPickler.dir/link.d CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 52%] Built target graphmolSGroupCatch
+[ 53%] Built target graphmoltestPickler
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o -MF CMakeFiles/ChemReactions.dir/Reaction.cpp.o.d -o CMakeFiles/ChemReactions.dir/Reaction.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Reaction.cpp
-[ 52%] Linking CXX executable graphmolAdjustQueryCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolAdjustQueryCatch.dir/link.d CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 53%] Linking CXX executable graphmolTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTest1.dir/link.d CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 52%] Built target graphmolAdjustQueryCatch
+[ 53%] Built target graphmolTest1
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
+[ 53%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/catch_tests.cpp
-[ 53%] Linking CXX executable testMMFFForceField
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceField.dir/link.d CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -o testMMFFForceField  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 53%] Linking CXX executable pickleTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickleTestsCatch.dir/link.txt --verbose=1
+[ 53%] Linking CXX executable molopsTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molopsTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molopsTestsCatch.dir/link.d CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -o molopsTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target testMMFFForceField
+[ 53%] Linking CXX executable graphmolAdjustQueryCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
+[ 53%] Built target molopsTestsCatch
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/DependInfo.cmake "--color="
@@ -4720,13 +4755,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -MF CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o.d -o CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp
-[ 53%] Linking CXX executable molopsTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molopsTestsCatch.dir/link.txt --verbose=1
-[ 53%] Linking CXX executable graphmoltestPickler
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molopsTestsCatch.dir/link.d CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -o molopsTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickleTestsCatch.dir/link.d CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -o pickleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target molopsTestsCatch
+[ 53%] Built target pickleTestsCatch
 make  -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake "--color="
@@ -4735,9 +4766,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o -MF CMakeFiles/testDepictor.dir/testDepictor.cpp.o.d -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/testDepictor.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPickler.dir/link.d CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolAdjustQueryCatch.dir/link.d CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target graphmoltestPickler
+[ 53%] Built target graphmolAdjustQueryCatch
 make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/DependInfo.cmake "--color="
@@ -4746,39 +4777,37 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -MF CMakeFiles/depictorCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/catch_tests.cpp
-[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MDLParser.cpp
+[ 53%] Linking CXX executable canonTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/canonTestsCatch.dir/link.txt --verbose=1
 [ 53%] Linking CXX executable graphmoltestChirality
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestChirality.dir/link.d CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/canonTestsCatch.dir/link.d CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -o canonTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target graphmoltestChirality
+[ 53%] Built target canonTestsCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestChirality.dir/link.d CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o -MF CMakeFiles/fileParsersTest1.dir/test1.cpp.o.d -o CMakeFiles/fileParsersTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/test1.cpp
-[ 53%] Linking CXX executable canonTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/canonTestsCatch.dir/link.txt --verbose=1
-[ 53%] Linking CXX executable pickleTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickleTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/canonTestsCatch.dir/link.d CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -o canonTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target canonTestsCatch
+[ 53%] Built target graphmoltestChirality
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickleTestsCatch.dir/link.d CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -o pickleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -MF CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o.d -o CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testAtropisomers.cpp
-[ 53%] Built target pickleTestsCatch
+[ 53%] Linking CXX executable graphmolSGroupCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolSGroupCatch.dir/link.d CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 53%] Built target graphmolSGroupCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/DependInfo.cmake "--color="
@@ -4787,11 +4816,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -MF CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o.d -o CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MDLParser.cpp
+[ 53%] Linking CXX executable testSquiggleDoubleBonds
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Linking CXX executable nontetrahedralCatch
+[ 53%] Built target testSquiggleDoubleBonds
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/nontetrahedralCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nontetrahedralCatch.dir/link.d CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target nontetrahedralCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color="
@@ -4800,11 +4833,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -MF CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o.d -o CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMolSupplier.cpp
-[ 53%] Linking CXX executable testSquiggleDoubleBonds
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nontetrahedralCatch.dir/link.d CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 53%] Built target testSquiggleDoubleBonds
+[ 53%] Built target nontetrahedralCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
@@ -4815,8 +4846,6 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -MF CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o.d -o CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
 [ 53%] Linking CXX executable testAtropisomers
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1
-[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -MF CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/DaylightParser.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAtropisomers.dir/link.d CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -o testAtropisomers  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 53%] Built target testAtropisomers
@@ -4834,6 +4863,8 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 54%] Built target testDepictor
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend
+[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -MF CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/DaylightParser.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
@@ -4841,8 +4872,6 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -MF CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o.d -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMolWriter.cpp
-[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionPickler.cpp
 [ 55%] Linking CXX executable testGeneralFileReader
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGeneralFileReader.dir/link.d CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
@@ -4869,11 +4898,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -MF CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o.d -o CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMol2ToMol.cpp
-[ 55%] Linking CXX executable graphmolTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTestsCatch.dir/link.d CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionPickler.cpp
+[ 55%] Linking CXX executable testTplParser
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target graphmolTestsCatch
+[ 55%] Built target testTplParser
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color="
@@ -4882,13 +4913,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o -MF CMakeFiles/testSequence.dir/testSequence.cpp.o.d -o CMakeFiles/testSequence.dir/testSequence.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testSequence.cpp
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionWriter.cpp
-[ 55%] Linking CXX executable testMol2ToMol
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMol2ToMol.dir/link.d CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Linking CXX executable graphmolTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTestsCatch.dir/link.d CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target testMol2ToMol
+[ 55%] Built target graphmolTestsCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color="
@@ -4897,11 +4926,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -MF CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o.d -o CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp
-[ 55%] Linking CXX executable testTplParser
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Linking CXX executable testMol2ToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMol2ToMol.dir/link.d CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target testTplParser
+[ 55%] Built target testMol2ToMol
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
@@ -4910,11 +4939,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/file_parsers_catch.cpp
-[ 55%] Linking CXX executable testExtendedStereoParsing
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Linking CXX executable testSequence
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target testExtendedStereoParsing
+[ 55%] Built target testSequence
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/DependInfo.cmake "--color="
@@ -4923,37 +4952,43 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -MF CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o.d -o CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testPropertyLists.cpp
-[ 55%] Linking CXX executable testMolSupplier
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable testSequence
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionWriter.cpp
+[ 55%] Linking CXX executable smiTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest1.dir/link.d CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target testMolSupplier
+[ 55%] Built target smiTest1
 make  -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color="
-[ 55%] Built target testSequence
-make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -MF CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o.d -o CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp
+[ 55%] Linking CXX executable chiralityTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable testExtendedStereoParsing
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable testMolSupplier
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 55%] Built target testExtendedStereoParsing
+make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/DependInfo.cmake "--color="
+[ 55%] Linking CXX executable depictorCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Linking CXX executable smiTest1
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -MF CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o.d -o CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest1.dir/link.d CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chiralityTestsCatch.dir/link.d CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target smiTest1
+[ 55%] Built target chiralityTestsCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/DependInfo.cmake "--color="
@@ -4962,15 +4997,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -MF CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o.d -o CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionDepict.cpp
-[ 55%] Linking CXX executable depictorCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable chiralityTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/depictorCatch.dir/link.d CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target depictorCatch
+[ 55%] Built target testMolSupplier
 make  -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/DependInfo.cmake "--color="
@@ -4979,9 +5008,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -MF CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o.d -o CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/connectTheDots_catch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chiralityTestsCatch.dir/link.d CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/depictorCatch.dir/link.d CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target chiralityTestsCatch
+[ 55%] Built target depictorCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/DependInfo.cmake "--color="
@@ -4990,39 +5019,39 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -MF CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o.d -o CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_suppliers_catch.cpp
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
-[ 55%] Linking CXX executable smiTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
 [ 55%] Linking CXX executable testMolWriter
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTestCatch.dir/link.d CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target smiTestCatch
-make  -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/depend
 [ 55%] Built target testMolWriter
-make  -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp
+[ 55%] Linking CXX executable smiTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTestCatch.dir/link.d CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 55%] Built target smiTestCatch
+make  -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -MF CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o.d -o CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp
-[ 55%] Linking CXX executable XYZFileParserCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/XYZFileParserCatchTest.dir/link.d CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -o XYZFileParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionDepict.cpp
+[ 55%] Linking CXX executable connectTheDotsTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target XYZFileParserCatchTest
+[ 55%] Built target connectTheDotsTest
 make  -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake "--color="
@@ -5031,11 +5060,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o -MF CMakeFiles/testSubstructMatch.dir/test1.cpp.o.d -o CMakeFiles/testSubstructMatch.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/test1.cpp
-[ 55%] Linking CXX executable connectTheDotsTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Linking CXX executable XYZFileParserCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/XYZFileParserCatchTest.dir/link.d CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -o XYZFileParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 55%] Built target connectTheDotsTest
+[ 55%] Built target XYZFileParserCatchTest
 make  -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/DependInfo.cmake "--color="
@@ -5046,6 +5075,10 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/catch_tests.cpp
 [ 55%] Linking CXX executable v2MolSuppliers
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable graphmolMolOpsTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable v2FileParsersCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2MolSuppliers.dir/link.d CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -o v2MolSuppliers  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Built target v2MolSuppliers
@@ -5057,34 +5090,32 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -MF CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o.d -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
-[ 55%] Linking CXX executable cdxmlParserCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable graphmolMolOpsTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
-[ 56%] Linking CXX executable molfileStereoCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cdxmlParserCatchTest.dir/link.d CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -o cdxmlParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMolOpsTest.dir/link.d CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2FileParsersCatchTest.dir/link.d CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -o v2FileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 56%] Built target cdxmlParserCatchTest
+[ 55%] Built target v2FileParsersCatchTest
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/depend
-[ 56%] Built target graphmolMolOpsTest
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMolOpsTest.dir/link.d CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 55%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/catch_tests.cpp
+[ 55%] Built target graphmolMolOpsTest
+make  -f Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 56%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/catch_tests.cpp
-[ 56%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
+[ 55%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -MF CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o.d -o CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp
+[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
+[ 56%] Linking CXX executable molfileStereoCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 56%] Built target molfileStereoCatchTest
@@ -5096,56 +5127,54 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 56%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o -MF CMakeFiles/testFragCatalog.dir/test1.cpp.o.d -o CMakeFiles/testFragCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/test1.cpp
-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionUtils.cpp
-[ 57%] Linking CXX executable multithreadedSupplierCatchTest
+[ 56%] Linking CXX executable multithreadedSupplierCatchTest
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/multithreadedSupplierCatchTest.dir/link.d CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -o multithreadedSupplierCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Built target multithreadedSupplierCatchTest
+[ 56%] Built target multithreadedSupplierCatchTest
 make  -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o
+[ 56%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp
-[ 57%] Linking CXX executable v2FileParsersCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2FileParsersCatchTest.dir/link.d CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -o v2FileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 56%] Linking CXX executable cdxmlParserCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cdxmlParserCatchTest.dir/link.d CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -o cdxmlParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Built target v2FileParsersCatchTest
+[ 56%] Built target cdxmlParserCatchTest
 make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o -MF CMakeFiles/Descriptors.dir/Crippen.cpp.o.d -o CMakeFiles/Descriptors.dir/Crippen.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Crippen.cpp
-[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
-[ 57%] Linking CXX executable testPropertyLists
+[ 56%] Linking CXX executable testPropertyLists
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPropertyLists.dir/link.d CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -o testPropertyLists  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Built target testPropertyLists
+[ 56%] Built target testPropertyLists
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
+[ 56%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/test1.cpp
-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MoleculeParser.cpp
-[ 57%] Linking CXX executable testFragCatalog
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionUtils.cpp
+[ 57%] Linking CXX executable filterCatalogTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
+[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Built target testFragCatalog
+[ 57%] Built target filterCatalogTest
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/DependInfo.cmake "--color="
@@ -5154,15 +5183,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp
-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionRunner.cpp
-[ 57%] Linking CXX executable filterCatalogTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
-[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 57%] Linking CXX executable testFragCatalog
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 57%] Built target filterCatalogTest
+[ 57%] Built target testFragCatalog
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/DependInfo.cmake "--color="
@@ -5171,6 +5196,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -MF CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o.d -o CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp
 [ 57%] Linking CXX executable substructTestCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructTestCatch.dir/link.d CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
@@ -5184,10 +5211,10 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/catch_tests.cpp
+[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MoleculeParser.cpp
 [ 57%] Linking CXX executable testMHFPFingerprint
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
-[ 57%] Linking CXX executable testSubstructMatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMHFPFingerprint.dir/link.d CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 57%] Built target testMHFPFingerprint
@@ -5199,6 +5226,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -MF CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o.d -o CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
+[ 58%] Linking CXX executable testSubstructMatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubstructMatch.dir/link.d CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Built target testSubstructMatch
@@ -5210,34 +5239,36 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o -MF CMakeFiles/testMolTransforms.dir/test1.cpp.o.d -o CMakeFiles/testMolTransforms.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/test1.cpp
-[ 58%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp: In function 'std::pair<double, double> RDKit::Descriptors::{anonymous}::BCUT2D(std::unique_ptr<Eigen::Matrix<double, -1, -1> >&, const std::vector<double>&)':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp:70:71: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
-   70 |                                  const std::vector<double> &atom_props) {
-      |                                                                       ^
 [ 58%] Linking CXX executable fileParsersTest1
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
-[ 58%] Linking CXX executable testChemTransforms
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Built target fileParsersTest1
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/depend
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/DependInfo.cmake "--color="
-[ 58%] Built target testChemTransforms
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 58%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/catch_tests.cpp
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp: In function 'std::pair<double, double> RDKit::Descriptors::{anonymous}::BCUT2D(std::unique_ptr<Eigen::Matrix<double, -1, -1> >&, const std::vector<double>&)':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp:70:71: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
+   70 |                                  const std::vector<double> &atom_props) {
+      |                                                                       ^
+[ 58%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
+[ 58%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionRunner.cpp
+[ 58%] Linking CXX executable testChemTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 58%] Built target testChemTransforms
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/DependInfo.cmake "--color="
-[ 58%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/catch_tests.cpp
 make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o
@@ -5255,11 +5286,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
-[ 58%] Linking CXX executable testMolTransforms
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable molTransformsTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 58%] Built target testMolTransforms
+[ 58%] Built target molTransformsTestCatch
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/DependInfo.cmake "--color="
@@ -5268,15 +5299,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp
-[ 58%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
-[ 58%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
-[ 58%] Linking CXX executable molTransformsTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable testMolTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 58%] Built target molTransformsTestCatch
+[ 58%] Built target testMolTransforms
 make  -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/DependInfo.cmake "--color="
@@ -5285,11 +5312,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -MF CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o.d -o CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp
-[ 58%] Linking CXX executable forceFieldHelpersCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/forceFieldHelpersCatch.dir/link.d CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 58%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
+[ 58%] Linking CXX executable fpGenTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpGenTestCatch.dir/link.d CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 58%] Built target forceFieldHelpersCatch
+[ 58%] Built target fpGenTestCatch
 make  -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/DependInfo.cmake "--color="
@@ -5298,13 +5327,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -MF CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o.d -o CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp
-[ 58%] Linking CXX executable fileParsersCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
-[ 58%] Linking CXX executable fpGenTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersCatchTest.dir/link.d CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable forceFieldHelpersCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/forceFieldHelpersCatch.dir/link.d CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 58%] Built target fileParsersCatchTest
+[ 58%] Built target forceFieldHelpersCatch
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color="
@@ -5313,9 +5340,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpGenTestCatch.dir/link.d CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable fileParsersCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersCatchTest.dir/link.d CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 58%] Built target fpGenTestCatch
+[ 58%] Built target fileParsersCatchTest
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/DependInfo.cmake "--color="
@@ -5324,12 +5353,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/catch_tests.cpp
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolDescriptors.cpp
 [ 59%] Linking CXX executable fpTestCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
-[ 59%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpTestCatch.dir/link.d CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -o fpTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 59%] Built target fpTestCatch
@@ -5341,11 +5366,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_MAX_ARITY=32 -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDistGeom_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -MF CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o.d -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp
-[ 59%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.d CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolDescriptors.cpp
+[ 59%] Linking CXX executable testFingerprintGenerators
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1
+[ 59%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprintGenerators.dir/link.d CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 59%] Built target testMMFFForceFieldHelpersMultiThread
+[ 59%] Built target testFingerprintGenerators
 make  -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake "--color="
@@ -5354,13 +5383,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -MF CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o.d -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/testMolAlign.cpp
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
-[ 59%] Linking CXX executable testFingerprintGenerators
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprintGenerators.dir/link.d CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 59%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.d CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 59%] Built target testFingerprintGenerators
+[ 59%] Built target testMMFFForceFieldHelpersMultiThread
 make  -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color="
@@ -5369,6 +5396,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/catch_tests.cpp
+[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
 [ 59%] Linking CXX executable testCrystalForceField
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1
 [ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
@@ -5384,11 +5413,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
+[ 60%] Linking CXX executable testFingerprints
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
 [ 60%] Linking CXX executable testMMFFForceFieldHelpers
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpers.dir/link.d CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprints.dir/link.d CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target testMMFFForceFieldHelpers
+[ 60%] Built target testFingerprints
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/DependInfo.cmake "--color="
@@ -5397,11 +5428,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -MF CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o.d -o CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
-[ 60%] Linking CXX executable testFingerprints
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprints.dir/link.d CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpers.dir/link.d CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target testFingerprints
+[ 60%] Built target testMMFFForceFieldHelpers
 make  -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake "--color="
@@ -5410,6 +5439,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o -MF CMakeFiles/testMolCatalog.dir/test1.cpp.o.d -o CMakeFiles/testMolCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/test1.cpp
+[ 60%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
 [ 60%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfragcatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o  ../../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -5423,42 +5454,38 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o -MF CMakeFiles/FMCS.dir/FMCS.cpp.o.d -o CMakeFiles/FMCS.dir/FMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/FMCS.cpp
-[ 60%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
+[ 60%] Linking CXX executable testMolAlign
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
 [ 60%] Linking CXX executable molAlignCatchTest
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
-[ 60%] Linking CXX executable testShapeHelpers
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolAlign.dir/link.d CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target molAlignCatchTest
+[ 60%] Built target testMolAlign
 make  -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/depend
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testShapeHelpers.dir/link.d CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -o testShapeHelpers  ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/DependInfo.cmake "--color="
-[ 60%] Built target testShapeHelpers
-make  -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 60%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/catch_tests.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 60%] Built target molAlignCatchTest
+make  -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/catch_tests.cpp
 [ 60%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMMPA_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MMPA_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o -MF CMakeFiles/MMPA.dir/MMPA.cpp.o.d -o CMakeFiles/MMPA.dir/MMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA.cpp
-[ 60%] Linking CXX executable testMolAlign
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolAlign.dir/link.d CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target testMolAlign
 [ 60%] Linking CXX executable testUFFForceFieldHelpers
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 60%] Built target testUFFForceFieldHelpers
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
@@ -5466,9 +5493,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalMCES.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 60%] Linking CXX executable testShapeHelpers
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testShapeHelpers.dir/link.d CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -o testShapeHelpers  ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target testUFFForceFieldHelpers
+[ 60%] Built target testShapeHelpers
 make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/DependInfo.cmake "--color="
@@ -5479,11 +5508,11 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp
 [ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Lipinski.cpp
-[ 60%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDistGeom.so CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 60%] Linking CXX executable testMolCatalog
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolCatalog.dir/link.d CMakeFiles/testMolCatalog.dir/test1.cpp.o -o testMolCatalog  ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target rdDistGeom
+[ 60%] Built target testMolCatalog
 make  -f Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/DependInfo.cmake "--color="
@@ -5492,37 +5521,39 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -MF CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o.d -o CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory/trajectoryTest.cpp
-[ 60%] Linking CXX executable testMolCatalog
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolCatalog.dir/link.d CMakeFiles/testMolCatalog.dir/test1.cpp.o -o testMolCatalog  ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 61%] Linking CXX executable testFeatures
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFeatures.dir/link.d CMakeFiles/testFeatures.dir/testFeatures.cpp.o -o testFeatures  ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target testMolCatalog
+[ 61%] Built target testFeatures
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
+[ 61%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -MF CMakeFiles/molInterchangeTest1.dir/test1.cpp.o.d -o CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/test1.cpp
-[ 60%] Linking CXX executable distGeomHelpersCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/distGeomHelpersCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/distGeomHelpersCatch.dir/link.d CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -o distGeomHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 61%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDistGeom.so CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 60%] Built target distGeomHelpersCatch
+[ 61%] Built target rdDistGeom
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/depend
-[ 61%] Linking CXX executable testFeatures
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -MF CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o.d -o CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/molinterchange_catch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFeatures.dir/link.d CMakeFiles/testFeatures.dir/testFeatures.cpp.o -o testFeatures  ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 61%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
+[ 61%] Linking CXX executable distGeomHelpersCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/distGeomHelpersCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/distGeomHelpersCatch.dir/link.d CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -o distGeomHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 61%] Built target testFeatures
+[ 61%] Built target distGeomHelpersCatch
 make  -f Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/DependInfo.cmake "--color="
@@ -5531,12 +5562,10 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -MF CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o.d -o CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/catch_tests.cpp
-[ 61%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/CDXMLParser.cpp
-[ 61%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o -MF CMakeFiles/FMCS.dir/Seed.cpp.o.d -o CMakeFiles/FMCS.dir/Seed.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Seed.cpp
 [ 61%] Linking CXX executable testDistGeomHelpers
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeomHelpers.dir/link.d CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 61%] Built target testDistGeomHelpers
@@ -5548,15 +5577,12 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolProcessing_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLPROCESSING_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -MF CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o.d -o CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/MolProcessing.cpp
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
-[ 61%] Linking CXX executable trajectoryTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1
-[ 61%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/trajectoryTest.dir/link.d CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 61%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2024.09.6 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 61%] Built target trajectoryTest
+[ 61%] Built target MMPA
 make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/DependInfo.cmake "--color="
@@ -5565,12 +5591,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o -MF CMakeFiles/testMIF.dir/testMIF.cpp.o.d -o CMakeFiles/testMIF.dir/testMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/testMIF.cpp
-[ 61%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2024.09.6 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
+[ 61%] Linking CXX executable trajectoryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/trajectoryTest.dir/link.d CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 61%] Built target MMPA
+[ 61%] Built target trajectoryTest
 make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color="
@@ -5579,269 +5604,360 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
-[ 62%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
-[ 63%] Linking CXX executable molHashCatchTest
+[ 61%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o -MF CMakeFiles/FMCS.dir/Seed.cpp.o.d -o CMakeFiles/FMCS.dir/Seed.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Seed.cpp
+[ 61%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MQN.cpp
+[ 62%] Linking CXX executable molHashCatchTest
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molHashCatchTest.dir/link.d CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target molHashCatchTest
+[ 62%] Built target molHashCatchTest
 make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
+[ 62%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
-[ 63%] Linking CXX executable molInterchangeTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1  ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target molInterchangeTest1
-[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MQN.cpp
-[ 63%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC  -fpermissive  -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
-[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Property.cpp
-[ 63%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so
+[ 62%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/CDXMLParser.cpp
+[ 62%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolProcessing.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolProcessing.so.1 -o ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../lib/libRDKitMolProcessing.so.1 ../../../lib/libRDKitMolProcessing.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target MolProcessing
+[ 62%] Built target MolProcessing
 make  -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o
+[ 62%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -MF CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o.d -o CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/processing_tests.cpp
-[ 63%] Linking CXX executable testAbbreviations
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAbbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAbbreviations.dir/link.d CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -o testAbbreviations  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 62%] Linking CXX executable molInterchangeTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1  ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target testAbbreviations
+[ 62%] Built target molInterchangeTest1
 make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o
+[ 62%] Building CXX object Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolProcessing_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -MF CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o.d -o CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp
-[ 63%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalCluster.cpp
+[ 62%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Property.cpp
+[ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
+[ 63%] Linking CXX executable molInterchangeCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeCatchTest.dir/link.d CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 63%] Built target molInterchangeCatchTest
+[ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
 [ 63%] Linking CXX executable testMMPA
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
-[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMPA.dir/link.d CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -o testMMPA  ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 63%] Built target testMMPA
+[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
+[ 63%] Linking CXX executable testAbbreviations
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAbbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAbbreviations.dir/link.d CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -o testAbbreviations  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 63%] Built target testAbbreviations
+[ 63%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC  -fpermissive  -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
+[ 63%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o  ../../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 63%] Built target rdMMPA
 [ 63%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
-[ 63%] Linking CXX executable molInterchangeCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeCatchTest.dir/link.d CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target molInterchangeCatchTest
+[ 63%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalCluster.cpp
 [ 63%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
+[ 63%] Linking CXX executable testMIF
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
 [ 63%] Linking CXX executable testMolProcessing
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1
 [ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMIF.dir/link.d CMakeFiles/testMIF.dir/testMIF.cpp.o -o testMIF  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target testMolProcessing
-[ 63%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
+[ 63%] Built target testMIF
 [ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp
-[ 63%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
-[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -MF CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o.d -o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o  ../../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 63%] Built target rdMMPA
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
+[ 63%] Built target testMolProcessing
+[ 64%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
+[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -MF CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o.d -o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.cpp
+[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -MF CMakeFiles/Descriptors.dir/AtomFeat.cpp.o.d -o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AtomFeat.cpp
-[ 64%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp
-[ 64%] Linking CXX executable testMIF
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMIF.dir/link.d CMakeFiles/testMIF.dir/testMIF.cpp.o -o testMIF  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
+[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -MF CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o.d -o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/OxidationNumbers.cpp
-[ 64%] Built target testMIF
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o
+[ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolProcessing.so CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o  ../../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDStreams.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 65%] Built target rdMolProcessing
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp
+[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o -MF CMakeFiles/Descriptors.dir/DCLV.cpp.o.d -o CMakeFiles/Descriptors.dir/DCLV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/DCLV.cpp
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
+[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/EEM.cpp
-[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
-[ 65%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
 [ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp
 [ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PBF.cpp
-[ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolProcessing.so CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o  ../../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDStreams.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 65%] Built target rdMolProcessing
 [ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o -MF CMakeFiles/Descriptors.dir/PMI.cpp.o.d -o CMakeFiles/Descriptors.dir/PMI.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PMI.cpp
-[ 66%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
-[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -MF CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o.d -o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/PartitionSet.cpp
-[ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.cpp
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp
+[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR3D.cpp
+[ 65%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2024.09.6 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 65%] Built target FMCS
+make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend
+[ 66%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 66%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -MF CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o.d -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/testFMCS_Unit.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemReactions.so.1 -o ../../../lib/libRDKitChemReactions.so.1.2024.09.6 CMakeFiles/ChemReactions.dir/Reaction.cpp.o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 66%] Built target ChemReactions
-make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/depend
+make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build
+make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 66%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinParser.cpp
-[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp
+make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake "--color="
+[ 66%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFMCS_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -MF CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o.d -o CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 66%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test/testFMCS.cpp
 [ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o -MF CMakeFiles/Descriptors.dir/RDF.cpp.o.d -o CMakeFiles/Descriptors.dir/RDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/RDF.cpp
-[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.cpp
 [ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o -MF CMakeFiles/Descriptors.dir/MORSE.cpp.o.d -o CMakeFiles/Descriptors.dir/MORSE.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MORSE.cpp
-[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp
-[ 66%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2024.09.6 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
+[ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -MF CMakeFiles/Descriptors.dir/GETAWAY.cpp.o.d -o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/GETAWAY.cpp
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 67%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
+[ 68%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.cpp
+[ 68%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/PositionVariation.cpp
+[ 68%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.cpp
+[ 68%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/CoulombMat.cpp
+[ 68%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
+[ 68%] Linking CXX executable FMCStest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/FMCStest.dir/link.d CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 68%] Built target FMCStest
+make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 68%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Deprotect.cpp
+[ 68%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 68%] Built target SynthonSpaceSearch
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 68%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolops.cpp
+[ 68%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolOps.cpp
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 66%] Built target FMCS
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 68%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinParser.cpp
+[ 68%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinWriter.cpp
+[ 68%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 68%] Built target RascalMCES
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 66%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
+[ 68%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o -MF CMakeFiles/testReaction.dir/testReaction.cpp.o.d -o CMakeFiles/testReaction.dir/testReaction.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testReaction.cpp
-[ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -MF CMakeFiles/Descriptors.dir/GETAWAY.cpp.o.d -o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/GETAWAY.cpp
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.cpp
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/CoulombMat.cpp
+[ 69%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 69%] Built target rdFMCS
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
+[ 69%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -MF CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o.d -o CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp
-[ 67%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinWriter.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Deprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2024.09.6 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 69%] Built target Deprotect
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -MF CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o.d -o CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp
-[ 67%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp
+[ 69%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ChiralityOps.cpp
+[ 69%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
+[ 69%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 69%] Built target MolEnumerator
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/catch_tests.cpp
+[ 69%] Linking CXX executable testFMCS
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCS.dir/link.d CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -o testFMCS  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 69%] Built target testFMCS
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/MolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/MolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Pipeline.cpp
-[ 67%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.cpp
-[ 67%] Linking CXX executable testReactionFingerprints
+[ 69%] Linking CXX executable testReactionFingerprints
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReactionFingerprints.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReactionFingerprints.dir/link.d CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -o testReactionFingerprints  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Built target testReactionFingerprints
+[ 69%] Built target testReactionFingerprints
 make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
-[ 67%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1
-[ 67%] Linking CXX executable testEnumeration
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
+[ 69%] Linking CXX executable testEnumeration
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEnumeration.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEnumeration.dir/link.d CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -o testEnumeration  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Built target testEnumeration
-make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 69%] Built target testEnumeration
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -MF CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o.d -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/testFMCS_Unit.cpp
-[ 67%] Built target SynthonSpaceSearch
-make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend
+[ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_catch.cpp
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFMCS_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -MF CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o.d -o CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.cpp
-[ 67%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Built target RascalMCES
-make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend
+[ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test/testFMCS.cpp
+[ 70%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
 In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
                  from /usr/include/c++/14/bits/stl_tree.h:63,
                  from /usr/include/c++/14/map:62,
@@ -5855,167 +5971,118 @@
 /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
  1132 |     make_pair(_T1&& __x, _T2&& __y)
       |     ^~~~~~~~~
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/MolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/MolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.cpp
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.cpp
-[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.cpp
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_catch.cpp
-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
-[ 69%] Linking CXX executable FMCStest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/FMCStest.dir/link.d CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 69%] Built target FMCStest
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
-[ 69%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
+[ 70%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
-[ 69%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MarvinParser.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 69%] Built target MarvinParser
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Descriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2024.09.6 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/DCLV.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o CMakeFiles/Descriptors.dir/RDF.cpp.o CMakeFiles/Descriptors.dir/MORSE.cpp.o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o CMakeFiles/Descriptors.dir/WHIM.cpp.o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 69%] Built target Descriptors
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
-[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.cpp
-[ 70%] Linking CXX executable testRascalCluster
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
-[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 71%] Built target testRascalCluster
+[ 70%] Built target Descriptors
 make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o
+[ 70%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -MF CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o.d -o CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.cpp
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/MolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/MolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.cpp
+[ 70%] Linking CXX executable testRascalCluster
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 71%] Built target rdFMCS
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/depend
+[ 70%] Built target testRascalCluster
+make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build
+make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -MF CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/catch_tests.cpp
-[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.cpp
-[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
-[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp
-[ 71%] Linking CXX executable testFMCS
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCS.dir/link.d CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -o testFMCS  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 70%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/deprotectTest.cpp
+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp
+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
+[ 71%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
+[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MarvinParser.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 71%] Built target testFMCS
-make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/depend
+[ 71%] Built target MarvinParser
+make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build
+make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Deprotect.cpp
-[ 71%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/PositionVariation.cpp
-[ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp
-[ 72%] Linking CXX executable rxnTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rxnTestCatch.dir/link.d CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.cpp
+[ 71%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o  ../../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Built target rxnTestCatch
+[ 71%] Built target rdRascalMCES
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
+[ 71%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdchem.cpp
-[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
-[ 72%] Linking CXX executable testRascalMCES
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalMCES.dir/link.d CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Built target testRascalMCES
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolops.cpp
-[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o  ../../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 71%] Linking CXX executable deprotectTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/deprotectTest.dir/link.d CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -o deprotectTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDeprotect.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Built target rdRascalMCES
+[ 71%] Built target deprotectTest
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
+[ 71%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolfiles.cpp
-[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
-[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
-[ 72%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
-[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
+[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Deprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2024.09.6 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o  ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 72%] Built target Deprotect
+[ 71%] Built target rdSynthonSpaceSearch
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 71%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
+[ 71%] Linking CXX executable testRascalMCES
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalMCES.dir/link.d CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 71%] Built target testRascalMCES
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 71%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.cpp
+[ 72%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 72%] Built target rdmolops
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color="
@@ -6024,9 +6091,19 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 73%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -MF CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o.d -o CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/cxsmiles_test.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o  ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
+[ 73%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -MF CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o.d -o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.cpp
+[ 73%] Linking CXX executable rxnTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rxnTestCatch.dir/link.d CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 73%] Built target rdSynthonSpaceSearch
+[ 73%] Built target rxnTestCatch
 make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
@@ -6035,63 +6112,45 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 74%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/testMrvToMol.cpp
-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
-[ 74%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
+[ 74%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.cpp
+[ 75%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 75%] Built target rdMolEnumerator
 make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 74%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o
+[ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
+[ 75%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -MF CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o.d -o CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/generic_tests.cpp
-[ 74%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolOps.cpp
-[ 74%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.cpp
-[ 74%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
-[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
-[ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
-[ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
+[ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.cpp
+[ 75%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Table.cpp
-[ 76%] Linking CXX executable testGenericGroups
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1
-[ 76%] Linking CXX executable cxsmilesTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGenericGroups.dir/link.d CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 75%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDeprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDeprotect.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o  ../../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target testGenericGroups
+[ 75%] Built target rdDeprotect
 make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
+[ 75%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
-[ 76%] Linking CXX executable testMrvToMol
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cxsmilesTest.dir/link.d CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target cxsmilesTest
-[ 76%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMrvToMol.dir/link.d CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 76%] Linking CXX executable testMolEnumerator
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolEnumerator.dir/link.d CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target testMrvToMol
+[ 76%] Built target testMolEnumerator
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/DependInfo.cmake "--color="
@@ -6100,33 +6159,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test.cpp
-[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
-[ 76%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
-[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.cpp
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
-[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Atom.cpp
-[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Bond.cpp
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
-[ 76%] Linking CXX executable testReaction
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReaction.dir/link.d CMakeFiles/testReaction.dir/testReaction.cpp.o -o testReaction  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp
+[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
+[ 76%] Linking CXX executable cxsmilesTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cxsmilesTest.dir/link.d CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target testReaction
+[ 76%] Built target cxsmilesTest
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/DependInfo.cmake "--color="
@@ -6135,32 +6176,28 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
-[ 76%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
+[ 76%] Linking CXX executable testMrvToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
+[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMrvToMol.dir/link.d CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target MolEnumerator
+[ 76%] Built target testMrvToMol
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
 [ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testATF.cpp
-[ 76%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 CMakeFiles/MolStandardize.dir/Pipeline.cpp.o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
+[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Atom.cpp
+[ 76%] Linking CXX executable testGenericGroups
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGenericGroups.dir/link.d CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target MolStandardize
+[ 76%] Built target testGenericGroups
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/DependInfo.cmake "--color="
@@ -6169,6 +6206,77 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o -MF CMakeFiles/testBCUT.dir/testBCUT.cpp.o.d -o CMakeFiles/testBCUT.dir/testBCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testBCUT.cpp
+[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
+In file included from /usr/include/c++/14/vector:62,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
+In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
+    inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30,
+    inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42,
+    inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31,
+    inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
+    inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27,
+    inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15,
+    inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37,
+    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1022:38,
+    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
+    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
+/usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=]
+  452 |             __builtin_memmove(__result, __first, sizeof(_Tp) * _Num);
+      |             ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+In file included from /usr/include/aarch64-linux-gnu/c++/14/bits/c++allocator.h:33,
+                 from /usr/include/c++/14/bits/allocator.h:46,
+                 from /usr/include/c++/14/vector:63:
+In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]',
+    inlined from 'static _Tp* std::allocator_traits<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
+    inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:380:33,
+    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1013:40,
+    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
+    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
+/usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
+  151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
+      |                                                       ^
+[ 76%] Linking CXX executable testAUTOCORR2D
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR2D.dir/link.d CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -o testAUTOCORR2D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 76%] Built target testAUTOCORR2D
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o -MF CMakeFiles/testEEM.dir/testEEM.cpp.o.d -o CMakeFiles/testEEM.dir/testEEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testEEM.cpp
+[ 76%] Linking CXX executable testATF
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1
+[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testATF.dir/link.d CMakeFiles/testATF.dir/testATF.cpp.o -o testATF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 76%] Built target testATF
+[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Bond.cpp
+[ 76%] Linking CXX executable testBCUT
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBCUT.dir/link.d CMakeFiles/testBCUT.dir/testBCUT.cpp.o -o testBCUT  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 76%] Built target testBCUT
+[ 76%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
+[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp
+[ 76%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
+[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
 In file included from /usr/include/boost/shared_ptr.hpp:17,
                  from /usr/include/boost/python/converter/shared_ptr_to_python.hpp:12,
                  from /usr/include/boost/python/converter/arg_to_python.hpp:15,
@@ -6216,353 +6324,350 @@
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
    55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
       |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 76%] Linking CXX executable testATF
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testATF.dir/link.d CMakeFiles/testATF.dir/testATF.cpp.o -o testATF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target testATF
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o -MF CMakeFiles/testEEM.dir/testEEM.cpp.o.d -o CMakeFiles/testEEM.dir/testEEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testEEM.cpp
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 76%] Linking CXX executable testAUTOCORR2D
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR2D.dir/link.d CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -o testAUTOCORR2D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
+                 from /usr/include/c++/14/string:51,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.h:19,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp:13:
+/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp:165:47:   required from here
+  165 |     tl = mol_draw.getAtomCoords(std::make_pair(tl.x, tl.y));
+      |                                 ~~~~~~~~~~~~~~^~~~~~~~~~~~
+/usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
+ 1132 |     make_pair(_T1&& __x, _T2&& __y)
+      |     ^~~~~~~~~
+[ 77%] Linking CXX executable testEEM
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEEM.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEEM.dir/link.d CMakeFiles/testEEM.dir/testEEM.cpp.o -o testEEM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 76%] Built target testAUTOCORR2D
+[ 77%] Built target testEEM
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o
+[ 78%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o -MF CMakeFiles/testPBF.dir/testPBF.cpp.o.d -o CMakeFiles/testPBF.dir/testPBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testPBF.cpp
-[ 77%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
-[ 77%] Linking CXX executable testBCUT
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBCUT.dir/link.d CMakeFiles/testBCUT.dir/testBCUT.cpp.o -o testBCUT  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
+[ 80%] Linking CXX executable testReaction
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
+[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
+[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
+[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReaction.dir/link.d CMakeFiles/testReaction.dir/testReaction.cpp.o -o testReaction  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 77%] Built target testBCUT
+[ 80%] Built target testReaction
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 78%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o
+[ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -MF CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o.d -o CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDFcustom.cpp
-[ 78%] Linking CXX executable testDescriptors
+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
+[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeMolSupplier.cpp
+[ 81%] Linking CXX executable testDescriptors
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1
-[ 78%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDescriptors.dir/link.d CMakeFiles/testDescriptors.dir/test.cpp.o -o testDescriptors  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 78%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeMolSupplier.cpp
-[ 78%] Built target testDescriptors
+[ 81%] Built target testDescriptors
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 78%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
+[ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o -MF CMakeFiles/testRDF.dir/testRDF.cpp.o.d -o CMakeFiles/testRDF.dir/testRDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDF.cpp
-[ 78%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ChiralityOps.cpp
-[ 79%] Linking CXX executable testEEM
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEEM.dir/link.txt --verbose=1
-[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEEM.dir/link.d CMakeFiles/testEEM.dir/testEEM.cpp.o -o testEEM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 81%] Linking CXX executable testPBF
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPBF.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPBF.dir/link.d CMakeFiles/testPBF.dir/testPBF.cpp.o -o testPBF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 79%] Built target testEEM
+[ 81%] Built target testPBF
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o
+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
+[ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o -MF CMakeFiles/testMORSE.dir/testMORSE.cpp.o.d -o CMakeFiles/testMORSE.dir/testMORSE.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testMORSE.cpp
-[ 79%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
+[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Mol.cpp
-[ 79%] Linking CXX executable testPBF
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPBF.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPBF.dir/link.d CMakeFiles/testPBF.dir/testPBF.cpp.o -o testPBF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
+[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
+[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
+[ 82%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Conformer.cpp
+[ 82%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
+[ 82%] Linking CXX executable testRDFcustom
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDFcustom.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDFcustom.dir/link.d CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -o testRDFcustom  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 79%] Built target testPBF
+[ 82%] Built target testRDFcustom
 make  -f Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o
+[ 83%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o -MF CMakeFiles/test3D.dir/test3D.cpp.o.d -o CMakeFiles/test3D.dir/test3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test3D.cpp
-[ 80%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
-[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp
-[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Conformer.cpp
-[ 81%] Linking CXX executable testRDF
+[ 83%] Linking CXX executable testRDF
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDF.dir/link.d CMakeFiles/testRDF.dir/testRDF.cpp.o -o testRDF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 81%] Built target testRDF
+[ 83%] Built target testRDF
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 82%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o
+[ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o -MF CMakeFiles/testWHIM.dir/testWHIM.cpp.o.d -o CMakeFiles/testWHIM.dir/testWHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testWHIM.cpp
-[ 82%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.cpp
-[ 82%] Linking CXX executable testRDFcustom
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDFcustom.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDFcustom.dir/link.d CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -o testRDFcustom  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
+[ 84%] Linking CXX executable testMORSE
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMORSE.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMORSE.dir/link.d CMakeFiles/testMORSE.dir/testMORSE.cpp.o -o testMORSE  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 82%] Built target testRDFcustom
+[ 84%] Built target testMORSE
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 82%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o
+[ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -MF CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o.d -o CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testGETAWAY.cpp
-[ 82%] Linking CXX executable testMORSE
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMORSE.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMORSE.dir/link.d CMakeFiles/testMORSE.dir/testMORSE.cpp.o -o testMORSE  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 82%] Built target testMORSE
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 82%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o
+[ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -MF CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o.d -o CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR3D.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
-[ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF CMakeFiles/rdchem.dir/RingInfo.cpp.o.d -o CMakeFiles/rdchem.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/RingInfo.cpp
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/EditableMol.cpp
+[ 85%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
+[ 85%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 83%] Built target rdChemReactions
+[ 85%] Built target MolDraw2D
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o
+[ 85%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -MF CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o.d -o CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testCoulombMat.cpp
-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
-[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-[ 84%] Linking CXX executable test3D
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
-In file included from /usr/include/c++/14/vector:62,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
-In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
-    inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30,
-    inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42,
-    inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31,
-    inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
-    inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27,
-    inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15,
-    inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37,
-    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1022:38,
-    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
-    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
-/usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=]
-  452 |             __builtin_memmove(__result, __first, sizeof(_Tp) * _Num);
-      |             ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-In file included from /usr/include/aarch64-linux-gnu/c++/14/bits/c++allocator.h:33,
-                 from /usr/include/c++/14/bits/allocator.h:46,
-                 from /usr/include/c++/14/vector:63:
-In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]',
-    inlined from 'static _Tp* std::allocator_traits<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
-    inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:380:33,
-    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1013:40,
-    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
-    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
-/usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
-  151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
-      |                                                       ^
-[ 84%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test3D.dir/link.d CMakeFiles/test3D.dir/test3D.cpp.o -o test3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 CMakeFiles/MolStandardize.dir/Pipeline.cpp.o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Built target test3D
+[ 85%] Built target MolStandardize
 make  -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
+[ 85%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/catch_tests.cpp
-[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 85%] Linking CXX executable testWHIM
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testWHIM.dir/link.d CMakeFiles/testWHIM.dir/testWHIM.cpp.o -o testWHIM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Built target rdmolops
+[ 85%] Built target testWHIM
 make  -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
+[ 85%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDescriptors_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -MF CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o.d -o CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp
-[ 84%] Linking CXX executable testWHIM
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testWHIM.dir/link.d CMakeFiles/testWHIM.dir/testWHIM.cpp.o -o testWHIM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 85%] Linking CXX executable test3D
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test3D.dir/link.d CMakeFiles/test3D.dir/test3D.cpp.o -o test3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Built target testWHIM
+[ 85%] Built target test3D
 make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
+[ 85%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
-[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp
-[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
-[ 84%] Linking CXX executable testGETAWAY
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGETAWAY.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGETAWAY.dir/link.d CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -o testGETAWAY  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 85%] Linking CXX executable testAUTOCORR3D
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Built target testGETAWAY
-make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend
+[ 85%] Built target testAUTOCORR3D
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/deprotectTest.cpp
-[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 84%] Linking CXX executable testAUTOCORR3D
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
+[ 85%] Linking CXX executable testGETAWAY
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGETAWAY.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGETAWAY.dir/link.d CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -o testGETAWAY  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 84%] Built target testAUTOCORR3D
-make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
+[ 85%] Built target testGETAWAY
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 85%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MonomerInfo.cpp
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp: In function 'std::pair<double, double> {anonymous}::{anonymous}::BCUT2D_list(const RDKit::ROMol&, boost::python::list)':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:444:61: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
+  444 |                                       python::list atomprops) {
+      |                                                             ^
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
 In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
-                 from /usr/include/c++/14/string:51,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.h:19,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp:13:
+                 from /usr/include/c++/14/bits/specfun.h:43,
+                 from /usr/include/c++/14/cmath:3906,
+                 from /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/types.h:21,
+                 from /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.h:15,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp:12:
 /usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp:165:47:   required from here
-  165 |     tl = mol_draw.getAtomCoords(std::make_pair(tl.x, tl.y));
-      |                                 ~~~~~~~~~~~~~~^~~~~~~~~~~~
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp:1592:46:   required from here
+ 1592 |           drawer.getAtomCoords(std::make_pair(ocoords.x, ocoords.y));
+      |                                ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
 /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
  1132 |     make_pair(_T1&& __x, _T2&& __y)
       |     ^~~~~~~~~
 [ 85%] Linking CXX executable testCoulombMat
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp: In function 'std::pair<double, double> {anonymous}::{anonymous}::BCUT2D_list(const RDKit::ROMol&, boost::python::list)':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:444:61: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
-  444 |                                       python::list atomprops) {
-      |                                                             ^
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolBundle.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoulombMat.dir/link.d CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -o testCoulombMat  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 85%] Built target testCoulombMat
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/depend
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
+[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
 [ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDMolSupplier.cpp
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
-[ 85%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -MF CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o.d -o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
-[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF CMakeFiles/rdchem.dir/RingInfo.cpp.o.d -o CMakeFiles/rdchem.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/RingInfo.cpp
 [ 85%] Linking CXX executable descriptorsTestCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1
-[ 85%] Linking CXX executable deprotectTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/descriptorsTestCatch.dir/link.d CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -o descriptorsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 85%] Built target descriptorsTestCatch
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/depend
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/DependInfo.cmake "--color="
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/deprotectTest.dir/link.d CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -o deprotectTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDeprotect.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 85%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
+[ 85%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build
-[ 85%] Built target deprotectTest
+[ 85%] Built target rdChemReactions
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
-[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testNormalize.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color="
+[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -MF CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/catch_tests.cpp
+[ 85%] Linking CXX executable moldraw2DRxnTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build
+[ 85%] Built target moldraw2DRxnTest1
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testValidate.cpp
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
 [ 86%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/O3AAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 86%] Built target O3AAlign
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testNormalize.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/StereoGroup.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SubstanceGroup.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTMolSupplier.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Chirality.cpp
+[ 86%] Linking CXX executable molNormalizeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molNormalizeTest.dir/link.d CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 86%] Built target molNormalizeTest
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testValidate.cpp
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/DependInfo.cmake "--color="
@@ -6571,62 +6676,51 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testCharge.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
-[ 87%] Linking CXX executable molStandardizeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeTest.dir/link.d CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 87%] Built target molStandardizeTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testTautomer.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTMolSupplier.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/EditableMol.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MonomerInfo.cpp
-[ 87%] Linking CXX executable testCIPLabeler
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1
-[ 87%] Linking CXX executable molNormalizeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCIPLabeler.dir/link.d CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -o testCIPLabeler  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molNormalizeTest.dir/link.d CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 86%] Linking CXX executable molStandardizeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeTest.dir/link.d CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 87%] Built target testCIPLabeler
+[ 86%] Built target molStandardizeTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color="
-[ 87%] Built target molNormalizeTest
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test2.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
+[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
+[ 86%] Linking CXX executable molChargeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
+[ 87%] Linking CXX executable molValidateTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 87%] Built target molChargeTest
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build
-[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test2.cpp
 [ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -MF CMakeFiles/molFragmentTest.dir/testFragment.cpp.o.d -o CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testFragment.cpp
-[ 87%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDeprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDeprotect.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o  ../../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 87%] Built target rdDeprotect
+[ 87%] Built target molValidateTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/DependInfo.cmake "--color="
@@ -6635,15 +6729,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/catch_tests.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
-[ 88%] Linking CXX executable molValidateTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
+[ 88%] Linking CXX executable moldraw2DTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Built target molValidateTest
+[ 88%] Built target moldraw2DTest1
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/DependInfo.cmake "--color="
@@ -6652,11 +6744,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -MF CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o.d -o CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testPipeline.cpp
-[ 88%] Linking CXX executable molChargeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDescriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Built target molChargeTest
+[ 88%] Built target rdMolDescriptors
 make  -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/DependInfo.cmake "--color="
@@ -6665,14 +6757,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 88%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp
-[ 88%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
-[ 88%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
+[ 88%] Linking CXX executable molStandardizeSmallTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeSmallTest.dir/link.d CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Built target MolDraw2D
+[ 88%] Built target molStandardizeSmallTest
 make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/DependInfo.cmake "--color="
@@ -6681,43 +6770,19 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 88%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SCAFFOLDNETWORK_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -MF CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o.d -o CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
-[ 88%] Linking CXX executable molStandardizeSmallTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeSmallTest.dir/link.d CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Built target molStandardizeSmallTest
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
-[ 88%] Linking CXX executable molFragmentTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolBundle.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molFragmentTest.dir/link.d CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -o molFragmentTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Built target molFragmentTest
-make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
-[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDescriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.cpp
+[ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTWriter.cpp
+[ 88%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
+[ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdchem.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdchem.so CMakeFiles/rdchem.dir/rdchem.cpp.o CMakeFiles/rdchem.dir/Table.cpp.o CMakeFiles/rdchem.dir/Atom.cpp.o CMakeFiles/rdchem.dir/Bond.cpp.o CMakeFiles/rdchem.dir/Mol.cpp.o CMakeFiles/rdchem.dir/Conformer.cpp.o CMakeFiles/rdchem.dir/RingInfo.cpp.o CMakeFiles/rdchem.dir/EditableMol.cpp.o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o CMakeFiles/rdchem.dir/MolBundle.cpp.o CMakeFiles/rdchem.dir/StereoGroup.cpp.o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o CMakeFiles/rdchem.dir/Chirality.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 88%] Built target rdMolDescriptors
+[ 88%] Built target rdchem
 make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
@@ -6726,51 +6791,50 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 89%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TAUTOMERQUERY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
+[ 89%] Linking CXX executable molFragmentTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
 [ 89%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitScaffoldNetwork.so.1 -o ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molFragmentTest.dir/link.d CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -o molFragmentTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 89%] Built target ScaffoldNetwork
 make  -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/depend
+[ 89%] Built target molFragmentTest
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 89%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolAlign_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -MF CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o.d -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
 [ 89%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -MF CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o.d -o CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/testO3AAlign.cpp
-[ 89%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Charge.cpp
 [ 89%] Linking CXX executable molTautomerTest
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTautomerTest.dir/link.d CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 89%] Built target molTautomerTest
-make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build
-[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
+make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
-[ 89%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolAlign_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -MF CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o.d -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
-[ 90%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp
-[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/StereoGroup.cpp
-[ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
-[ 92%] Linking CXX executable molStandardizePipelineTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Built target rdMolEnumerator
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
+make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
+[ 89%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/PDBWriter.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
 In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
                  from /usr/include/c++/14/string:51,
                  from /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.h:17,
@@ -6786,261 +6850,222 @@
 /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
  1132 |     make_pair(_T1&& __x, _T2&& __y)
       |     ^~~~~~~~~
+[ 89%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
+[ 89%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Built target molStandardizePipelineTest
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
+[ 89%] Built target rdMolDraw2D
+make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build
+make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
-[ 92%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
+[ 89%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
+[ 89%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
-[ 92%] Linking CXX executable molStandardizeCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SubstanceGroup.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Built target TautomerQuery
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
+[ 89%] Built target TautomerQuery
+make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build
+make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeCatchTest.dir/link.d CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -o molStandardizeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 89%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/catch_tests.cpp
+[ 90%] Linking CXX executable molStandardizePipelineTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
+[ 90%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Built target molStandardizeCatchTest
-make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend
+[ 90%] Built target molStandardizePipelineTest
+make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build
+make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp
-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.cpp
-In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
-                 from /usr/include/c++/14/bits/specfun.h:43,
-                 from /usr/include/c++/14/cmath:3906,
-                 from /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/types.h:21,
-                 from /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.h:15,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp:12:
-/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp:1592:46:   required from here
- 1592 |           drawer.getAtomCoords(std::make_pair(ocoords.x, ocoords.y));
-      |                                ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
-/usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
- 1132 |     make_pair(_T1&& __x, _T2&& __y)
-      |     ^~~~~~~~~
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Chirality.cpp
-[ 92%] Linking CXX executable testO3AAlign
+[ 90%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
+[ 90%] Linking CXX executable testO3AAlign
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
-[ 93%] Linking CXX executable testMolEnumerator
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testO3AAlign.dir/link.d CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign  ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Built target testO3AAlign
+[ 90%] Built target testO3AAlign
 make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
+[ 90%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolEnumerator.dir/link.d CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
+[ 91%] Linking CXX executable molStandardizeCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeCatchTest.dir/link.d CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -o molStandardizeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Built target testMolEnumerator
+[ 91%] Built target molStandardizeCatchTest
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
+[ 91%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
-[ 93%] Linking CXX executable moldraw2DRxnTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Built target moldraw2DRxnTest1
-make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
-[ 93%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
+[ 91%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
+[ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o  ../../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Built target rdMolAlign
-make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/DependInfo.cmake "--color="
+[ 91%] Built target rdMolAlign
+[ 91%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 91%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
+[ 91%] Linking CXX executable testScaffoldNetwork
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
-[ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
-[ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp
-[ 93%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTWriter.cpp
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/PDBWriter.cpp
-[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
+[ 91%] Built target testScaffoldNetwork
+[ 91%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp
-[ 93%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdchem.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdchem.so CMakeFiles/rdchem.dir/rdchem.cpp.o CMakeFiles/rdchem.dir/Table.cpp.o CMakeFiles/rdchem.dir/Atom.cpp.o CMakeFiles/rdchem.dir/Bond.cpp.o CMakeFiles/rdchem.dir/Mol.cpp.o CMakeFiles/rdchem.dir/Conformer.cpp.o CMakeFiles/rdchem.dir/RingInfo.cpp.o CMakeFiles/rdchem.dir/EditableMol.cpp.o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o CMakeFiles/rdchem.dir/MolBundle.cpp.o CMakeFiles/rdchem.dir/StereoGroup.cpp.o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o CMakeFiles/rdchem.dir/Chirality.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 91%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Charge.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
+[ 92%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolfiles.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Built target rdchem
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/DependInfo.cmake "--color="
+[ 92%] Built target rdmolfiles
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+[ 92%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
+[ 92%] Linking CXX executable tautomerQueryTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tautomerQueryTestCatch.dir/link.d CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/catch_tests.cpp
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
-[ 93%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
+[ 92%] Built target tautomerQueryTestCatch
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 92%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
+[ 92%] Linking CXX executable moldraw2DTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Built target GeneralizedSubstruct
-make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/DependInfo.cmake "--color="
+[ 92%] Built target rdTautomerQuery
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTestCatch.dir/link.d CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -o moldraw2DTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
-[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
+[ 92%] Built target moldraw2DTestCatch
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
+[ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp
+[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupData.cpp
-[ 94%] Linking CXX executable testScaffoldNetwork
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 94%] Built target testScaffoldNetwork
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 94%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
-[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
+[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp
+[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp
+[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
 [ 96%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o  ../../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 96%] Built target rdScaffoldNetwork
-make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color="
+[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
+[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
+[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
+[ 96%] Linking CXX executable testCIPLabeler
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCIPLabeler.dir/link.d CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -o testCIPLabeler  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
-In file included from /usr/include/boost/python/override.hpp:13,
-                 from /usr/include/boost/python/wrapper.hpp:8,
-                 from /usr/include/boost/python/object/value_holder.hpp:15,
-                 from /usr/include/boost/python/object/class_metadata.hpp:14,
-                 from /usr/include/boost/python/class.hpp:23,
-                 from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:9,
-                 from /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:9,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:11:
-In member function 'boost::python::converter::extract_rvalue<T>::result_type boost::python::converter::extract_rvalue<T>::operator()() const [with T = long int]',
-    inlined from 'boost::python::extract<T>::operator result_type() const [with T = long int]' at /usr/include/boost/python/extract.hpp:136:23,
-    inlined from 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]' at /usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:617:27:
-/usr/include/boost/python/extract.hpp:185:11: warning: '*(long int*)((char*)&<unnamed> + offsetof(boost::python::extract<long int>,boost::python::extract<long int>::<unnamed>.boost::python::converter::extract_rvalue<long int>::m_data.boost::python::converter::rvalue_from_python_data<long int>::<unnamed>.boost::python::converter::rvalue_from_python_storage<long int>::storage))' may be used uninitialized [-Wmaybe-uninitialized]
-  185 |           );
-      |           ^
-In file included from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:12:
-/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp: In static member function 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]':
-/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:617:27: note: '<anonymous>' declared here
-  617 |                 long to = extract<long>( slice->stop);
-      |                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~
-In member function 'boost::python::converter::extract_rvalue<T>::result_type boost::python::converter::extract_rvalue<T>::operator()() const [with T = long int]',
-    inlined from 'boost::python::extract<T>::operator result_type() const [with T = long int]' at /usr/include/boost/python/extract.hpp:136:23,
-    inlined from 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]' at /usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:603:29:
-/usr/include/boost/python/extract.hpp:185:11: warning: '*(long int*)((char*)&<unnamed> + offsetof(boost::python::extract<long int>,boost::python::extract<long int>::<unnamed>.boost::python::converter::extract_rvalue<long int>::m_data.boost::python::converter::rvalue_from_python_data<long int>::<unnamed>.boost::python::converter::rvalue_from_python_storage<long int>::storage))' may be used uninitialized [-Wmaybe-uninitialized]
-  185 |           );
-      |           ^
-/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp: In static member function 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]':
-/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:603:29: note: '<anonymous>' declared here
-  603 |                 long from = extract<long>( slice->start);
-      |                             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 96%] Linking CXX executable moldraw2DTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so
+[ 96%] Built target testCIPLabeler
+[ 96%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp
+[ 96%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
+[ 96%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
+[ 96%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp
+[ 96%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 96%] Linking CXX executable tautomerQueryTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1
-[ 96%] Built target moldraw2DTest1
+[ 96%] Built target GeneralizedSubstruct
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tautomerQueryTestCatch.dir/link.d CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 96%] Built target tautomerQueryTestCatch
-make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 96%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
+[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
+[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
 [ 96%] Building CXX object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o -MF CMakeFiles/rdkit.dir/adapter.cpp.o.d -o CMakeFiles/rdkit.dir/adapter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp
-[ 96%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1
-[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o  ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 96%] Built target rdMolStandardize
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o -MF CMakeFiles/rdkit.dir/bfp_op.c.o.d -o CMakeFiles/rdkit.dir/bfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_op.c
-[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o -MF CMakeFiles/rdkit.dir/cache.c.o.d -o CMakeFiles/rdkit.dir/cache.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/cache.c
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o
@@ -7049,73 +7074,150 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o -MF CMakeFiles/rdkit.dir/low_gist.c.o.d -o CMakeFiles/rdkit.dir/low_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/low_gist.c
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o -MF CMakeFiles/rdkit.dir/mol_op.c.o.d -o CMakeFiles/rdkit.dir/mol_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/mol_op.c
-/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp: In function 'void* makeAvalonBFP(CROMol, bool, unsigned int)':
-/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:38: warning: unused parameter 'data' [-Wunused-parameter]
- 1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
-      |                               ~~~~~~~^~~~
-/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:49: warning: unused parameter 'isQuery' [-Wunused-parameter]
- 1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
-      |                                            ~~~~~^~~~~~~
-/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1628:44: warning: unused parameter 'bitFlags' [-Wunused-parameter]
- 1628 |                               unsigned int bitFlags) {
-      |                               ~~~~~~~~~~~~~^~~~~~~~
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o -MF CMakeFiles/rdkit.dir/rdkit_gist.c.o.d -o CMakeFiles/rdkit.dir/rdkit_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rdkit_gist.c
+[ 96%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o -MF CMakeFiles/rdkit.dir/bfp_gist.c.o.d -o CMakeFiles/rdkit.dir/bfp_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_gist.c
-[ 96%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
 [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o -MF CMakeFiles/rdkit.dir/bfp_gin.c.o.d -o CMakeFiles/rdkit.dir/bfp_gin.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_gin.c
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 96%] Built target rdMolDraw2D
 [ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o -MF CMakeFiles/rdkit.dir/bitstring.c.o.d -o CMakeFiles/rdkit.dir/bitstring.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bitstring.c
 [ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o -MF CMakeFiles/rdkit.dir/bitstring.c.o.d -o CMakeFiles/rdkit.dir/bitstring.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bitstring.c
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o -MF CMakeFiles/rdkit.dir/rdkit_io.c.o.d -o CMakeFiles/rdkit.dir/rdkit_io.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rdkit_io.c
 [ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o -MF CMakeFiles/rdkit.dir/rxn_op.c.o.d -o CMakeFiles/rdkit.dir/rxn_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rxn_op.c
 [ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o -MF CMakeFiles/rdkit.dir/sfp_op.c.o.d -o CMakeFiles/rdkit.dir/sfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sfp_op.c
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
-[ 97%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
-[ 97%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolfiles.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 97%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 97%] Built target rdmolfiles
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
-[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 97%] Built target RGroupDecomposition
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 97%] Built target rdTautomerQuery
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
-[ 97%] Linking CXX executable generalizedSubstructCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/generalizedSubstructCatch.dir/link.d CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -o generalizedSubstructCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 97%] Built target generalizedSubstructCatch
-[ 97%] Linking CXX shared library librdkit.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -MF CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o.d -o CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -MF CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o.d -o CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -MF CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o.d -o CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/catch_rgd.cpp
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o -MF CMakeFiles/gaExample.dir/GaExample.cpp.o.d -o CMakeFiles/gaExample.dir/GaExample.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/GaExample.cpp
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -MF CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o.d -o CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp
+/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp: In function 'void* makeAvalonBFP(CROMol, bool, unsigned int)':
+/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:38: warning: unused parameter 'data' [-Wunused-parameter]
+ 1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
+      |                               ~~~~~~~^~~~
+/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:49: warning: unused parameter 'isQuery' [-Wunused-parameter]
+ 1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
+      |                                            ~~~~~^~~~~~~
+/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1628:44: warning: unused parameter 'bitFlags' [-Wunused-parameter]
+ 1628 |                               unsigned int bitFlags) {
+      |                               ~~~~~~~~~~~~~^~~~~~~~
+[ 97%] Linking CXX executable gaExample
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gaExample.dir/link.d CMakeFiles/gaExample.dir/GaExample.cpp.o -o gaExample  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_program_options.so.1.83.0 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target gaExample
+In file included from /usr/include/boost/python/override.hpp:13,
+                 from /usr/include/boost/python/wrapper.hpp:8,
+                 from /usr/include/boost/python/object/value_holder.hpp:15,
+                 from /usr/include/boost/python/object/class_metadata.hpp:14,
+                 from /usr/include/boost/python/class.hpp:23,
+                 from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:9,
+                 from /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:9,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:11:
+In member function 'boost::python::converter::extract_rvalue<T>::result_type boost::python::converter::extract_rvalue<T>::operator()() const [with T = long int]',
+    inlined from 'boost::python::extract<T>::operator result_type() const [with T = long int]' at /usr/include/boost/python/extract.hpp:136:23,
+    inlined from 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]' at /usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:617:27:
+/usr/include/boost/python/extract.hpp:185:11: warning: '*(long int*)((char*)&<unnamed> + offsetof(boost::python::extract<long int>,boost::python::extract<long int>::<unnamed>.boost::python::converter::extract_rvalue<long int>::m_data.boost::python::converter::rvalue_from_python_data<long int>::<unnamed>.boost::python::converter::rvalue_from_python_storage<long int>::storage))' may be used uninitialized [-Wmaybe-uninitialized]
+  185 |           );
+      |           ^
+In file included from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:12:
+/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp: In static member function 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]':
+/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:617:27: note: '<anonymous>' declared here
+  617 |                 long to = extract<long>( slice->stop);
+      |                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~
+In member function 'boost::python::converter::extract_rvalue<T>::result_type boost::python::converter::extract_rvalue<T>::operator()() const [with T = long int]',
+    inlined from 'boost::python::extract<T>::operator result_type() const [with T = long int]' at /usr/include/boost/python/extract.hpp:136:23,
+    inlined from 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]' at /usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:603:29:
+/usr/include/boost/python/extract.hpp:185:11: warning: '*(long int*)((char*)&<unnamed> + offsetof(boost::python::extract<long int>,boost::python::extract<long int>::<unnamed>.boost::python::converter::extract_rvalue<long int>::m_data.boost::python::converter::rvalue_from_python_data<long int>::<unnamed>.boost::python::converter::rvalue_from_python_storage<long int>::storage))' may be used uninitialized [-Wmaybe-uninitialized]
+  185 |           );
+      |           ^
+/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp: In static member function 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]':
+/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:603:29: note: '<anonymous>' declared here
+  603 |                 long from = extract<long>( slice->start);
+      |                             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
 [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o  ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target rdGeneralizedSubstruct
+[ 97%] Linking CXX executable testRGroupDecompInternals
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1
+[ 97%] Linking CXX shared library librdkit.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target testRGroupDecompInternals
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/rdkit.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,librdkit.so -o librdkit.so CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/bfp_gist.c.o CMakeFiles/rdkit.dir/bfp_gin.c.o CMakeFiles/rdkit.dir/bitstring.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o   -L/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/lib  /usr/lib/aarch64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/sql
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/data
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/expected
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o  ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 97%] Built target rdkit
-[ 97%] Built target rdGeneralizedSubstruct
+[ 97%] Linking CXX executable generalizedSubstructCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/generalizedSubstructCatch.dir/link.d CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -o generalizedSubstructCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target generalizedSubstructCatch
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o  ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target rdMolStandardize
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o  ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target rdRGroupDecomposition
+[ 97%] Linking CXX executable rgroupCatchTests
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rgroupCatchTests.dir/link.d CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 97%] Built target rgroupCatchTests
 [ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructLibrary.so.1 -o ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o  ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
@@ -7123,132 +7225,61 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 97%] Built target SubstructLibrary
 make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/depend
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/depend
-make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/depend
+make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build
-[ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 98%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp
-[ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o
+[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/catch_tests.cpp
-[ 98%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp
-[ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp
 [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
-[ 99%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target RGroupDecomposition
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/depend
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/depend
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/depend
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/depend
-make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build
-[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -MF CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o.d -o CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/catch_rgd.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o -MF CMakeFiles/gaExample.dir/GaExample.cpp.o.d -o CMakeFiles/gaExample.dir/GaExample.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/GaExample.cpp
-[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -MF CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o.d -o CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
-[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -MF CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o.d -o CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp
-[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -MF CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o.d -o CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp
-[ 99%] Linking CXX executable moldraw2DTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTestCatch.dir/link.d CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -o moldraw2DTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target moldraw2DTestCatch
-[ 99%] Linking CXX executable substructLibraryCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryCatchTest.dir/link.d CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp
+[ 99%] Linking CXX executable testRGroupDecomp
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target substructLibraryCatchTest
+[ 99%] Built target testRGroupDecomp
 [ 99%] Linking CXX executable substructLibraryTest
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1
+[ 99%] Linking CXX executable substructLibraryCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryTest.dir/link.d CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest  ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 99%] Built target substructLibraryTest
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryCatchTest.dir/link.d CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
+[ 99%] Built target substructLibraryCatchTest
 [ 99%] Linking CXX executable testSynthonSpaceSubstructureSearch
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.txt --verbose=1
-/usr/bin/ld: [ 99%] Linking CXX executable gaExample
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1
-CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `CATCH2_INTERNAL_TEST_20()':
+/usr/bin/ld: CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `CATCH2_INTERNAL_TEST_20()':
 ./obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp:306:(.text+0x72b0): warning: the use of `tmpnam' is dangerous, better use `mkstemp'
-[ 99%] Linking CXX executable testRGroupDecompInternals
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.d CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -o testSynthonSpaceSubstructureSearch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gaExample.dir/link.d CMakeFiles/gaExample.dir/GaExample.cpp.o -o gaExample  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_program_options.so.1.83.0 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 [ 99%] Built target testSynthonSpaceSubstructureSearch
-[ 99%] Built target gaExample
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target testRGroupDecompInternals
-[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o  ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target rdRGroupDecomposition
-[ 99%] Linking CXX executable rgroupCatchTests
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rgroupCatchTests.dir/link.d CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target rgroupCatchTests
-[ 99%] Linking CXX executable testRGroupDecomp
-cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
-[ 99%] Built target testRGroupDecomp
 [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so
 cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSubstructLibrary.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o  ../../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -12883,7 +12914,7 @@
 
 resolving references...
 /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:273: WARNING: 'myst' cross-reference target not found: 'building-rdkit-for-development' [myst.xref_missing]
-WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff9c866270>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
+WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff8b142270>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
 processing RDKit.tex: done
 writing... done
 copying images... [  1%] images/Cc1ccccc1.png
@@ -15557,264 +15588,6 @@
 1:   2  5  1  0
 1: M  END
 1: 
-3: [00:53:05] Testing Github940: property dictionaries leaking memory
-3: [00:53:05] 	done
-3: Testing RDValue
-3: Testing RDAny
-3: dict set int vect
-3: dict get int vect
-3: static boost any:0.000258 s
-3: dynamic boost any:0.00102 s
-3: static RDAny:0.000125 s
-3: dynamic RDAny:0.001005 s
-3: static RDValue:0 s
-3: dynamic RDValue:0.000155 s
-3: deleted!
-3: [00:53:05] -------------------------------------
-3: [00:53:05] Testing String Pickle Roundtrips.
-3: [00:53:05] 	done
-3: [00:53:05] -------------------------------------
-3: [00:53:05] Testing conversion of vect to string.
-3: [00:53:05] 	done
-3: [00:53:05] -------------------------------------
-3: [00:53:05] Testing returning const references.
-3: [00:53:05] any cast
-3: [00:53:05] done: 0.000816 300000
-3: [00:53:05] copy
-3: [00:53:05] done: 0.000837 300000
-3: [00:53:05] ref
-3: [00:53:05] done: 0.000821 300000
-3: [00:53:05] dict
-3: [00:53:05] done: 0.001948 300000
-3: [00:53:05] ref with hasVal
-3: [00:53:05] done: 0.001302 300000
-3: [00:53:05] 	done
-3: [00:53:05] -------------------------------------
-3: [00:53:05] Testing dict update.
-3: [00:53:05] 	done
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-4: -- running tests -- 
-4: min: -2147483648 -2147483648
-4: min: 0 0
-4: min: 2.22507e-308 2.22507e-308
-4: min: 1.17549e-38 1.17549e-38
-4: min: 0 0
-4: == int
-4: == double
-4: == float
-4: == unsigned int
-4: == bool
-4: == std::string
-5: [00:53:05] 
-5: -----------------------------------------
-5: [00:53:05] Finished: testPushAndPop() 
-5: [00:53:05] 
-5: -----------------------------------------
-5: [00:53:05] 
-5: -----------------------------------------
-8: [00:53:05] pass
-8: [00:53:05] v3 4
-8: [00:53:05] v4 5
-8: [00:53:05]  SPARSE -----------------------------------
-8: [00:53:05] Set 10: 0
-8: [00:53:05] Set 11: 0
-8: [00:53:05] Set 14: 0
-8: [00:53:05] Set 10: 1
-8: [00:53:05] Get 14: 1
-8: [00:53:05] Num: 20
-8: [00:53:05] NumOn: 3
-8: [00:53:05] NumOff: 17
-8: 10, 11, 14, 
-8: [00:53:05] t2[19]: 0
-8: [00:53:05] t2[14]: 1
-8: [00:53:05] t2[19]: 0
-8: [00:53:05] t2[14]: 0
-8: t1: 10, 11, 14, 
-8: t2: 10, 11, 15, 17, 
-8: t1|t2: 10, 11, 14, 15, 17, 
-8: t1&t2: 10, 11, 
-8: t1^t2: 14, 15, 17, 
-8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
-8:  except 
-8: [00:53:05]  Explicit ----------------------------------
-8: [00:53:05] Set 10: 0
-8: [00:53:05] Set 11: 0
-8: [00:53:05] Set 14: 0
-8: [00:53:05] Set 10: 1
-8: [00:53:05] Get 14: 1
-8: [00:53:05] Num: 20
-8: [00:53:05] NumOn: 3
-8: [00:53:05] NumOff: 17
-8: 10, 11, 14, 
-8: [00:53:05] t2[19]: 0
-8: [00:53:05] t2[14]: 1
-8: [00:53:05] t2[19]: 0
-8: [00:53:05] t2[14]: 0
-8: t1: 10, 11, 14, 
-8: t2: 10, 11, 15, 17, 
-8: t1|t2: 10, 11, 14, 15, 17, 
-8: t1&t2: 10, 11, 
-8: t1^t2: 14, 15, 17, 
-8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
-8:  except 
-8: [00:53:05]  Done
-8: [00:53:05]  Test DiscreteValue Vectors 1 ----------------------------
-8: [00:53:05] Expected failure: Value out of range
-8: [00:53:05] Expected failure: Value out of range
-8: [00:53:05] Expected failure: Value out of range
-8: [00:53:05] Expected failure: Value out of range
-8: [00:53:05] Expected failure: Value out of range
-8: [00:53:05]  Test DiscreteValue Vectors 2 ------------------------------
-8: [00:53:05]  Test DiscreteValue Vectors 3 ---------------------------
-8: [00:53:05]  Test DiscreteValue Operations -----------------------------
-8: [00:53:05]  Test DiscreteValue Operations 2 -------------------------- 
-8: [00:53:05]  Test SparseIntVect  ------------------------------------
-8: [00:53:05]  Test SparseIntVect Serialization  --------------------------
-8: [00:53:05]  Test BitVect Serialization  -------------------------------
-8: [00:53:05]  Test BitVect to FPS  -------------------------------
-8: [00:53:05]  Test BitVect to binary string  -------------------------------
-8: [00:53:05]  Test Similarity Measures BitVect -------------------------------
-8: [00:53:05]  Test Similarity Measures SparseBitVect -------------------------------
-8: [00:53:05]  Test BitVect with all ones -------------------------------
-8: [00:53:05]  Test Explicit BitVects: Concatenation Operation  -------------------------------
-8: [00:53:05]  Test bitmap operations  -------------------------------
-8: [00:53:05]  Test bitmaps as properties -------------------------------
-8: [00:53:05]  Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
-8: [00:53:05]  Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
-8: [00:53:05]  Test RealValue Vectors 2: L1Norm -------------------------------
-8: [00:53:05]  Test RealValue Vectors 3: Pickles -------------------------------
-8: [00:53:05]  Test RealValue Vectors 4: Vector Operations  -------------------------------
-  1/235 Test   #4: testRDValue ............................   Passed    0.05 sec
-  2/235 Test   #3: testDict ...............................   Passed    0.06 sec
-  3/235 Test   #8: testDataStructs ........................   Passed    0.04 sec
-  4/235 Test   #9: testFPB ................................   Passed    0.04 sec
-test 13
-        Start  13: pyDiscreteValueVect
-
-13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testDiscreteValueVect.py"
-13: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-13: Test timeout computed to be: 1500
-test 14
-        Start  14: pyRealValueVect
-
-14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testRealValueVect.py"
-14: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-14: Test timeout computed to be: 1500
-test 15
-        Start  15: pySparseIntVect
-
-15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testSparseIntVect.py"
-15: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-15: Test timeout computed to be: 1500
-test 16
-        Start  16: pyFPB
-
-16: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testFPB.py"
-16: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-16: Test timeout computed to be: 1500
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: Randomness seeded to: 41286562
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: [00:53:05] should not be silent
-7: ===============================================================================
-7: All tests passed (26 assertions in 3 test cases)
-7: 
-  5/235 Test   #7: logTestsCatch ..........................   Passed    0.08 sec
-test 17
-        Start  17: testTransforms
-
-17: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testTransforms
-17: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
-17: Test timeout computed to be: 1500
-6: Randomness seeded to: 2076797278
-6: ===============================================================================
-6: All tests passed (32 assertions in 2 test cases)
-6: 
-  6/235 Test   #6: dictTestsCatch .........................   Passed    0.10 sec
-11: Randomness seeded to: 2925816392
-11: ===============================================================================
-11: All tests passed (3 assertions in 1 test case)
-11: 
-  7/235 Test  #11: catchDataStructs .......................   Passed    0.08 sec
-test 18
-        Start  18: testGrid
-
-18: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testGrid
-18: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
-18: Test timeout computed to be: 1500
-test 19
-        Start  19: testRealValueGrid
-
-19: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testRealValueGrid
-19: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
-19: Test timeout computed to be: 1500
-17: ****************************************
-17: testPointND
-17: ****************************************
-17: testPointOps3D
-17: ****************************************
-17: testPointOps2D
-17: ****************************************
-17: test12D
-17: ref1: 0.0445762 3.67928  ref2: 4.27385 0.149653 
-17: pt1: 3.65025 1.19748  pt2: 1.54099 0.145844 
-17: ****************************************
-17: test23D
-17: ****************************************
-17: test3MatMultiply
-17: Pt1: 1 0 0  Pt2: 2 0 0 
-17: -Pt1: -1 -0 -0 
-17: tp1: 0 0 0  tp2: 0 0 0 
-17: tp1: 0 0 0  tp2: 0 0 0 
-17: tp1: 0 0 3  tp2: 0 0 3 
-17: npt1: 0 0 3  npt2: 0 0 4 
-17: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
-17: ****************************************
-17: testFromQuaternion
-17: ****************************************
-  8/235 Test  #10: testMultiFPB ...........................   Passed    0.12 sec
-  9/235 Test  #17: testTransforms .........................   Passed    0.05 sec
-test 20
-        Start  20: geometryTestsCatch
-
-20: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch
-20: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
-20: Test timeout computed to be: 1500
-test 21
-        Start  21: testPyGeometry
-
-21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/testGeometry.py"
-21: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap
-21: Test timeout computed to be: 1500
-18: ***********************************************************
-18: Testing Grid
-18: 	---------------------------------
-18: 	 testUniformGrid1 
-18: 
-18: 	---------------------------------
-18: 	 testUniformGrid2 
-18: 
-18: 	---------------------------------
-18: 	 testUniformGridPickling 
-18: 
-18: 	---------------------------------
-18: 	 testGridOps 
-18: 
-18: 	---------------------------------
-18: 	 testUniformGridIndexing 
-18: 
 1: cyclosporine a
 1:      RDKit          2D
 1: 
@@ -16083,6 +15856,167 @@
 1:  10  2  1  0
 1: M  END
 1: 
+3: [20:54:35] Testing Github940: property dictionaries leaking memory
+3: [20:54:35] 	done
+3: Testing RDValue
+3: Testing RDAny
+3: dict set int vect
+3: dict get int vect
+3: static boost any:0.000218 s
+3: dynamic boost any:0.001014 s
+3: static RDAny:0.000124 s
+3: dynamic RDAny:0.001013 s
+3: static RDValue:1e-06 s
+3: dynamic RDValue:0.000167 s
+3: deleted!
+3: [20:54:35] -------------------------------------
+3: [20:54:35] Testing String Pickle Roundtrips.
+3: [20:54:35] 	done
+3: [20:54:35] -------------------------------------
+3: [20:54:35] Testing conversion of vect to string.
+3: [20:54:35] 	done
+3: [20:54:35] -------------------------------------
+3: [20:54:35] Testing returning const references.
+3: [20:54:35] any cast
+3: [20:54:35] done: 0.0008 300000
+3: [20:54:35] copy
+3: [20:54:35] done: 0.000834 300000
+3: [20:54:35] ref
+3: [20:54:35] done: 0.000801 300000
+3: [20:54:35] dict
+3: [20:54:35] done: 0.001987 300000
+3: [20:54:35] ref with hasVal
+3: [20:54:35] done: 0.001307 300000
+3: [20:54:35] 	done
+3: [20:54:35] -------------------------------------
+3: [20:54:35] Testing dict update.
+3: [20:54:35] 	done
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+4: -- running tests -- 
+4: min: -2147483648 -2147483648
+4: min: 0 0
+4: min: 2.22507e-308 2.22507e-308
+4: min: 1.17549e-38 1.17549e-38
+4: min: 0 0
+4: == int
+4: == double
+4: == float
+4: == unsigned int
+4: == bool
+4: == std::string
+5: [20:54:35] 
+5: -----------------------------------------
+5: [20:54:35] Finished: testPushAndPop() 
+5: [20:54:35] 
+5: -----------------------------------------
+5: [20:54:35] 
+5: -----------------------------------------
+6: Randomness seeded to: 961624178
+6: ===============================================================================
+6: All tests passed (32 assertions in 2 test cases)
+6: 
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: Randomness seeded to: 1703212111
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: [20:54:35] should not be silent
+7: ===============================================================================
+7: All tests passed (26 assertions in 3 test cases)
+7: 
+8: [20:54:35] pass
+8: [20:54:35] v3 4
+8: [20:54:35] v4 5
+8: [20:54:35]  SPARSE -----------------------------------
+8: [20:54:35] Set 10: 0
+8: [20:54:35] Set 11: 0
+8: [20:54:35] Set 14: 0
+8: [20:54:35] Set 10: 1
+8: [20:54:35] Get 14: 1
+8: [20:54:35] Num: 20
+8: [20:54:35] NumOn: 3
+8: [20:54:35] NumOff: 17
+8: 10, 11, 14, 
+8: [20:54:35] t2[19]: 0
+8: [20:54:35] t2[14]: 1
+8: [20:54:35] t2[19]: 0
+8: [20:54:35] t2[14]: 0
+8: t1: 10, 11, 14, 
+8: t2: 10, 11, 15, 17, 
+8: t1|t2: 10, 11, 14, 15, 17, 
+8: t1&t2: 10, 11, 
+8: t1^t2: 14, 15, 17, 
+8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
+8:  except 
+8: [20:54:35]  Explicit ----------------------------------
+8: [20:54:35] Set 10: 0
+8: [20:54:35] Set 11: 0
+8: [20:54:35] Set 14: 0
+8: [20:54:35] Set 10: 1
+8: [20:54:35] Get 14: 1
+8: [20:54:35] Num: 20
+8: [20:54:35] NumOn: 3
+8: [20:54:35] NumOff: 17
+8: 10, 11, 14, 
+8: [20:54:35] t2[19]: 0
+8: [20:54:35] t2[14]: 1
+8: [20:54:35] t2[19]: 0
+8: [20:54:35] t2[14]: 0
+8: t1: 10, 11, 14, 
+8: t2: 10, 11, 15, 17, 
+8: t1|t2: 10, 11, 14, 15, 17, 
+8: t1&t2: 10, 11, 
+8: t1^t2: 14, 15, 17, 
+8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
+8:  except 
+8: [20:54:35]  Done
+8: [20:54:35]  Test DiscreteValue Vectors 1 ----------------------------
+8: [20:54:35] Expected failure: Value out of range
+8: [20:54:35] Expected failure: Value out of range
+8: [20:54:35] Expected failure: Value out of range
+8: [20:54:35] Expected failure: Value out of range
+8: [20:54:35] Expected failure: Value out of range
+8: [20:54:35]  Test DiscreteValue Vectors 2 ------------------------------
+8: [20:54:35]  Test DiscreteValue Vectors 3 ---------------------------
+8: [20:54:35]  Test DiscreteValue Operations -----------------------------
+8: [20:54:35]  Test DiscreteValue Operations 2 -------------------------- 
+8: [20:54:35]  Test SparseIntVect  ------------------------------------
+8: [20:54:35]  Test SparseIntVect Serialization  --------------------------
+8: [20:54:35]  Test BitVect Serialization  -------------------------------
+8: [20:54:35]  Test BitVect to FPS  -------------------------------
+8: [20:54:35]  Test BitVect to binary string  -------------------------------
+8: [20:54:35]  Test Similarity Measures BitVect -------------------------------
+8: [20:54:35]  Test Similarity Measures SparseBitVect -------------------------------
+8: [20:54:35]  Test BitVect with all ones -------------------------------
+8: [20:54:35]  Test Explicit BitVects: Concatenation Operation  -------------------------------
+8: [20:54:35]  Test bitmap operations  -------------------------------
+8: [20:54:35]  Test bitmaps as properties -------------------------------
+8: [20:54:35]  Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
+8: [20:54:35]  Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
+8: [20:54:35]  Test RealValue Vectors 2: L1Norm -------------------------------
+8: [20:54:35]  Test RealValue Vectors 3: Pickles -------------------------------
+8: [20:54:35]  Test RealValue Vectors 4: Vector Operations  -------------------------------
+11: Randomness seeded to: 3886988924
+11: ===============================================================================
+11: All tests passed (3 assertions in 1 test case)
+11: 
+  1/235 Test   #3: testDict ...............................   Passed    0.19 sec
+  2/235 Test   #4: testRDValue ............................   Passed    0.17 sec
+  3/235 Test   #6: dictTestsCatch .........................   Passed    0.14 sec
+  4/235 Test   #7: logTestsCatch ..........................   Passed    0.12 sec
+  5/235 Test   #8: testDataStructs ........................   Passed    0.10 sec
+  6/235 Test   #9: testFPB ................................   Passed    0.09 sec
+  7/235 Test  #11: catchDataStructs .......................   Passed    0.06 sec
 1: github 4845 - nan coordinates but no crash
 1:      RDKit          2D
 1: 
@@ -16175,28 +16109,111 @@
 1:  30 11  1  0
 1: M  END
 1: 
-20: Randomness seeded to: 12323907
-20: ===============================================================================
-20: All tests passed (50 assertions in 5 test cases)
-20: 
- 10/235 Test  #18: testGrid ...............................   Passed    0.08 sec
- 11/235 Test  #20: geometryTestsCatch .....................   Passed    0.04 sec
- 12/235 Test   #1: testCoordGen ...........................   Passed    0.19 sec
-19: ***********************************************************
-19: Testing RealValueGrid3D
-19: 	---------------------------------
-19: 	 test1UniformRealValueGrid3D 
-19: 
-19: 	---------------------------------
-19: 	 test2UniformRealValueGrid3DPickling 
-19: 
-19: 	---------------------------------
-19: 	 test3UniformRealValueGrid3DIndexing 
-19: 
-19: 	---------------------------------
-19: 	 test4UniformRealValueGrid3DOps 
-19: 
- 13/235 Test  #19: testRealValueGrid ......................   Passed    0.06 sec
+test 13
+        Start  13: pyDiscreteValueVect
+
+13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testDiscreteValueVect.py"
+13: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+13: Test timeout computed to be: 1500
+test 14
+        Start  14: pyRealValueVect
+
+14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testRealValueVect.py"
+14: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+14: Test timeout computed to be: 1500
+test 15
+        Start  15: pySparseIntVect
+
+15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testSparseIntVect.py"
+15: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+15: Test timeout computed to be: 1500
+test 16
+        Start  16: pyFPB
+
+16: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testFPB.py"
+16: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+16: Test timeout computed to be: 1500
+test 17
+        Start  17: testTransforms
+
+17: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testTransforms
+17: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
+17: Test timeout computed to be: 1500
+test 18
+        Start  18: testGrid
+
+18: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testGrid
+18: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
+18: Test timeout computed to be: 1500
+test 19
+        Start  19: testRealValueGrid
+
+19: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testRealValueGrid
+19: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
+19: Test timeout computed to be: 1500
+2: ....
+2: ----------------------------------------------------------------------
+2: Ran 4 tests in 0.018s
+2: 
+2: OK
+17: ****************************************
+17: testPointND
+17: ****************************************
+17: testPointOps3D
+17: ****************************************
+17: testPointOps2D
+17: ****************************************
+17: test12D
+17: ref1: 2.19029 4.99335  ref2: 2.87244 1.37817 
+17: pt1: 3.10009 2.5947  pt2: 1.13562 1.30931 
+17: ****************************************
+17: test23D
+17: ****************************************
+17: test3MatMultiply
+17: Pt1: 1 0 0  Pt2: 2 0 0 
+17: -Pt1: -1 -0 -0 
+17: tp1: 0 0 0  tp2: 0 0 0 
+17: tp1: 0 0 0  tp2: 0 0 0 
+17: tp1: 0 0 3  tp2: 0 0 3 
+17: npt1: 0 0 3  npt2: 0 0 4 
+17: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
+17: ****************************************
+17: testFromQuaternion
+17: ****************************************
+18: ***********************************************************
+18: Testing Grid
+18: 	---------------------------------
+18: 	 testUniformGrid1 
+18: 
+18: 	---------------------------------
+18: 	 testUniformGrid2 
+18: 
+18: 	---------------------------------
+18: 	 testUniformGridPickling 
+18: 
+18: 	---------------------------------
+18: 	 testGridOps 
+18: 
+18: 	---------------------------------
+18: 	 testUniformGridIndexing 
+18: 
+  8/235 Test   #1: testCoordGen ...........................   Passed    0.36 sec
+  9/235 Test   #2: pyCoordGen .............................   Passed    0.34 sec
+ 10/235 Test  #10: testMultiFPB ...........................   Passed    0.20 sec
+ 11/235 Test  #17: testTransforms .........................   Passed    0.06 sec
+ 12/235 Test  #18: testGrid ...............................   Passed    0.05 sec
+test 20
+        Start  20: geometryTestsCatch
+
+20: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch
+20: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
+20: Test timeout computed to be: 1500
+test 21
+        Start  21: testPyGeometry
+
+21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/testGeometry.py"
+21: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap
+21: Test timeout computed to be: 1500
 test 22
         Start  22: testMatrices
 
@@ -16215,31 +16232,39 @@
 24: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/testAlignment
 24: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment
 24: Test timeout computed to be: 1500
-test 25
-        Start  25: pyAlignment
-
-25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/testAlignment.py"
-25: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap
-25: Test timeout computed to be: 1500
 13: ......
 13: ----------------------------------------------------------------------
-13: Ran 6 tests in 0.006s
+13: Ran 6 tests in 0.002s
 13: 
 13: OK
-22: [00:53:05] -----------------------------------------
-22: [00:53:05] Testing RDNumerics: vectors and matrices Code
-22: [00:53:05] ---------------------------------------
-22: [00:53:05] 	 test1Vector
-22: [00:53:05] ---------------------------------------
-22: [00:53:05] 	 test2Matrix
-22: [00:53:05] ---------------------------------------
-22: [00:53:05] 	 test3SquareMatrix
-22: [00:53:05] ---------------------------------------
-22: [00:53:05] 	 test4SymmMatrix
-23: Randomness seeded to: 2379636594
-23: ===============================================================================
-23: All tests passed (76 assertions in 3 test cases)
-23: 
+19: ***********************************************************
+19: Testing RealValueGrid3D
+19: 	---------------------------------
+19: 	 test1UniformRealValueGrid3D 
+19: 
+19: 	---------------------------------
+19: 	 test2UniformRealValueGrid3DPickling 
+19: 
+19: 	---------------------------------
+19: 	 test3UniformRealValueGrid3DIndexing 
+19: 
+19: 	---------------------------------
+19: 	 test4UniformRealValueGrid3DOps 
+19: 
+20: Randomness seeded to: 3564029887
+20: ===============================================================================
+20: All tests passed (50 assertions in 5 test cases)
+20: 
+22: [20:54:35] -----------------------------------------
+22: [20:54:35] Testing RDNumerics: vectors and matrices Code
+22: [20:54:35] ---------------------------------------
+22: [20:54:35] 	 test1Vector
+22: [20:54:35] ---------------------------------------
+22: [20:54:35] 	 test2Matrix
+22: [20:54:35] ---------------------------------------
+22: [20:54:35] 	 test3SquareMatrix
+22: [20:54:35] ---------------------------------------
+22: [20:54:35] 	 test4SymmMatrix
 24: -----------------------------------------
 24: Testing Alignment Code
 24: ---------------------------------------
@@ -16251,8 +16276,17 @@
 24: ---------------------------------------
 24: 	 testReflection
 24: ---------------------------------------
- 14/235 Test  #23: testConrec .............................   Passed    0.04 sec
- 15/235 Test  #24: testAlignment ..........................   Passed    0.02 sec
+ 13/235 Test  #13: pyDiscreteValueVect ....................   Passed    0.20 sec
+ 14/235 Test  #19: testRealValueGrid ......................   Passed    0.10 sec
+ 15/235 Test  #20: geometryTestsCatch .....................   Passed    0.08 sec
+ 16/235 Test  #22: testMatrices ...........................   Passed    0.04 sec
+ 17/235 Test  #24: testAlignment ..........................   Passed    0.01 sec
+test 25
+        Start  25: pyAlignment
+
+25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/testAlignment.py"
+25: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap
+25: Test timeout computed to be: 1500
 test 26
         Start  26: testOptimizer
 
@@ -16265,20 +16299,6 @@
 27: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/ForceFieldsCatch
 27: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField
 27: Test timeout computed to be: 1500
-15: .........
-15: ----------------------------------------------------------------------
-15: Ran 9 tests in 0.004s
-15: 
-15: OK
-26: -------------------------------------
-26: Testing linear search.
-26:   done
-26: -------------------------------------
-26: Testing BFGS optimization.
-26:   done
- 16/235 Test  #13: pyDiscreteValueVect ....................   Passed    0.21 sec
- 17/235 Test  #22: testMatrices ...........................   Passed    0.08 sec
- 18/235 Test  #26: testOptimizer ..........................   Passed    0.02 sec
 test 28
         Start  28: testUFFForceField
 
@@ -16291,31 +16311,20 @@
 29: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
 29: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF
 29: Test timeout computed to be: 1500
-test 30
-        Start  30: pyForceFieldConstraints
-
-30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/testConstraints.py"
-30: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap
-30: Test timeout computed to be: 1500
-16: .........
-16: ----------------------------------------------------------------------
-16: Ran 9 tests in 0.054s
-16: 
-16: OK
-2: ....
-2: ----------------------------------------------------------------------
-2: Ran 4 tests in 0.024s
-2: 
-2: OK
-27: Randomness seeded to: 553478856
+23: Randomness seeded to: 1280037728
+23: ===============================================================================
+23: All tests passed (76 assertions in 3 test cases)
+23: 
+26: -------------------------------------
+26: Testing linear search.
+26:   done
+26: -------------------------------------
+26: Testing BFGS optimization.
+26:   done
+27: Randomness seeded to: 222772027
 27: ===============================================================================
 27: All tests passed (20 assertions in 2 test cases)
 27: 
-14: ......
-14: ----------------------------------------------------------------------
-14: Ran 6 tests in 0.005s
-14: 
-14: OK
 28: -------------------------------------
 28: Unit tests for force field basics.
 28:   done
@@ -16362,10 +16371,15 @@
 28:   done
 28: -------------------------------------
 28: Unit tests for all UFF constraint terms.
-29: -------------------------------------
-29: Official MMFF validation suite.
- 19/235 Test  #15: pySparseIntVect ........................   Passed    0.25 sec
- 20/235 Test  #27: ForceFieldsCatch .......................   Passed    0.06 sec
+ 18/235 Test  #23: testConrec .............................   Passed    0.09 sec
+ 19/235 Test  #26: testOptimizer ..........................   Passed    0.04 sec
+ 20/235 Test  #27: ForceFieldsCatch .......................   Passed    0.03 sec
+test 30
+        Start  30: pyForceFieldConstraints
+
+30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/testConstraints.py"
+30: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap
+30: Test timeout computed to be: 1500
 test 31
         Start  31: testDistGeom
 
@@ -16378,14 +16392,11 @@
 32: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/rough_test.py"
 32: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap
 32: Test timeout computed to be: 1500
+29: -------------------------------------
+29: Official MMFF validation suite.
 28:   done
 28: -------------------------------------
 28: Unit tests for copying UFF ForceFields.
-28:   done
-28: -------------------------------------
-28: Unit test for UFF butane scan.
- 21/235 Test   #2: pyCoordGen .............................   Passed    0.35 sec
- 22/235 Test  #14: pyRealValueVect ........................   Passed    0.28 sec
 31: ***********************************************************
 31:    test1 
 31: ***********************************************************
@@ -16397,38 +16408,31 @@
 31:       1      1      1      0
 31: ***********************************************************
 31: 
- 23/235 Test  #31: testDistGeom ...........................   Passed    0.03 sec
+ 21/235 Test  #31: testDistGeom ...........................   Passed    0.03 sec
 test 33
         Start  33: graphmolTest1
 
 33: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 33: Test timeout computed to be: 1500
-test 34
-        Start  34: graphmolcpTest
-
-34: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest
-34: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-34: Test timeout computed to be: 1500
- 24/235 Test  #16: pyFPB ..................................   Passed    0.29 sec
-test 35
-        Start  35: graphmolqueryTest
-
-35: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest
-35: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-35: Test timeout computed to be: 1500
-test 36
-        Start  36: graphmolMolOpsTest
-
-36: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
-36: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-36: Test timeout computed to be: 1500
-21: ....................
-21: ----------------------------------------------------------------------
-21: Ran 20 tests in 0.028s
-21: 
-21: OK
-21: Testing Geometry wrapper
+28:   done
+28: -------------------------------------
+28: Unit test for UFF butane scan.
+14: ......
+14: ----------------------------------------------------------------------
+14: Ran 6 tests in 0.001s
+14: 
+14: OK
+16: .........
+16: ----------------------------------------------------------------------
+16: Ran 9 tests in 0.074s
+16: 
+16: OK
+15: .........
+15: ----------------------------------------------------------------------
+15: Ran 9 tests in 0.012s
+15: 
+15: OK
 33: Atoms:
 33: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 
 33: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 
@@ -16447,7 +16451,7 @@
 33: 	4 5->6 order: 3
 33: 	5 6->7 order: 1
 33: 	6 7->8 order: 2
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16459,15 +16463,15 @@
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000AAAAB05CB7A0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  3# 0x0000AAAABD56B7A0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000AAAABD563DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  7# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16479,15 +16483,15 @@
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000AAAAB05CB9C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  3# 0x0000AAAABD56B9C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000AAAABD563DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  7# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16499,15 +16503,15 @@
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000AAAAB05CBAB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  3# 0x0000AAAABD56BAB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000AAAABD563DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  7# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16519,15 +16523,15 @@
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000AAAAB05CBAF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  3# 0x0000AAAABD56BAF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000AAAABD563DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  7# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16539,17 +16543,19 @@
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000AAAAB05CBC3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  3# 0x0000AAAABD56BC3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000AAAABD563DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  7# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] Explicit valence for atom # 0 B, 4, is greater than permitted
-33: [00:53:05] Explicit valence for atom # 0 B, 4, is greater than permitted
-33: [00:53:05] 
+33: [20:54:35] Explicit valence for atom # 0 B, 4, is greater than permitted
+33: [20:54:35] Explicit valence for atom # 0 B, 4, is greater than permitted
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
+33: [20:54:35] 
 33: 
 33: ****
 33: Post-condition Violation
@@ -16561,85 +16567,53 @@
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000AAAAB05F6868 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000AAAAB05DA358 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000AAAAB05C3DE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  6# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  3# 0x0000AAAABD596868 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000AAAABD57A358 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x0000AAAABD563DE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  8# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  8# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] -------------------------------------
-33: [00:53:05]     Test github381: thread-safe initialization of the periodic table
+33: [20:54:35] -------------------------------------
+33: [20:54:35]     Test github381: thread-safe initialization of the periodic table
+ 22/235 Test  #15: pySparseIntVect ........................   Passed    0.39 sec
+test 34
+        Start  34: graphmolcpTest
+
+34: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest
+34: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+34: Test timeout computed to be: 1500
+ 23/235 Test  #16: pyFPB ..................................   Passed    0.40 sec
+test 35
+        Start  35: graphmolqueryTest
+
+35: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest
+35: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+35: Test timeout computed to be: 1500
 34: 
 34: 
 34: 
 34: COPY
+ 24/235 Test  #14: pyRealValueVect ........................   Passed    0.45 sec
 25: .....
 25: ----------------------------------------------------------------------
-25: Ran 5 tests in 0.006s
+25: Ran 5 tests in 0.001s
 25: 
 25: OK
-25: Testing Alignment Wrapper code:
-35: [00:53:05] ---------------------- Test1
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test2
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test3
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test4
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test5
-35: [00:53:05] Done!
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test issue 2892580
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test github issue 53: query molecules not matching [R]
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test queries using qualifiers instead of ==
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test extra atom queries
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test extra bond queries
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test num heteroatom neighbor queries
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test atom type queries
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
-35: [00:53:05] Done!
-35: [00:53:05] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
-35: [00:53:05] Done!
- 25/235 Test  #21: testPyGeometry .........................   Passed    0.25 sec
- 26/235 Test  #34: graphmolcpTest .........................   Passed    0.05 sec
- 27/235 Test  #35: graphmolqueryTest ......................   Passed    0.04 sec
-test 37
-        Start  37: graphmoltestChirality
-
-37: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestChirality
-37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-37: Test timeout computed to be: 1500
-test 38
-        Start  38: graphmoltestPickler
-
-38: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPickler
-38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-38: Test timeout computed to be: 1500
-test 39
-        Start  39: graphmoltestPicklerGlobalSetting
+test 36
+        Start  36: graphmolMolOpsTest
 
-39: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
-39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-39: Test timeout computed to be: 1500
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
-33: [00:53:05]   done
-33: [00:53:05] -------------------------------------
-33: [00:53:05]     Test github1041: Segfault for atom with no owner (expect some warnings)
-33: [00:53:05] 
+36: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
+36: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+36: Test timeout computed to be: 1500
+25: Testing Alignment Wrapper code:
+35: [20:54:35] ---------------------- Test1
+33: [20:54:35]   done
+33: [20:54:35] -------------------------------------
+33: [20:54:35]     Test github1041: Segfault for atom with no owner (expect some warnings)
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16650,15 +16624,15 @@
 33: Stacktrace:
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000AAAAB05EAA58 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000AAAAB05C3E0C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  2# 0x0000AAAABD58AA58 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x0000AAAABD563E0C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16669,18 +16643,18 @@
 33: Stacktrace:
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000AAAAB05EAE34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000AAAAB05C3E0C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  2# 0x0000AAAABD58AE34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x0000AAAABD563E0C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05]   done
-33: [00:53:05] -------------------------------------
-33: [00:53:05]     Test github1041: Segfault for atom with no owner (expect some warnings)
-33: [00:53:05] 
+33: [20:54:35]   done
+33: [20:54:35] -------------------------------------
+33: [20:54:35]     Test github1041: Segfault for atom with no owner (expect some warnings)
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16691,15 +16665,15 @@
 33: Stacktrace:
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000AAAAB05EAA58 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000AAAAB05C3E10 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  2# 0x0000AAAABD58AA58 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x0000AAAABD563E10 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05] 
+33: [20:54:35] 
 33: 
 33: ****
 33: Pre-condition Violation
@@ -16710,63 +16684,112 @@
 33: Stacktrace:
 33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000AAAAB05EAE34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000AAAAB05C3E10 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
+33:  2# 0x0000AAAABD58AE34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x0000AAAABD563E10 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x0000FFFFAA27229C in /lib/aarch64-linux-gnu/libc.so.6
 33:  5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-33:  6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x0000AAAABD563EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 33: ----------
 33: ****
 33: 
-33: [00:53:05]   done
-33: [00:53:05] -------------------------------------
-33: [00:53:05]     Test github1453: RWMol.clear() should reset the numBonds count.
-33: [00:53:05]   done
-33: [00:53:05] -------------------------------------
-33: [00:53:05]     Test range-based for loops.
-33: [00:53:05]   done
-33: [00:53:05] -------------------------------------
-33: [00:53:05]     Test github1642: Atom index type is too low for big molecules.
+33: [20:54:35]   done
+33: [20:54:35] -------------------------------------
+33: [20:54:35]     Test github1453: RWMol.clear() should reset the numBonds count.
+33: [20:54:35]   done
+33: [20:54:35] -------------------------------------
+33: [20:54:35]     Test range-based for loops.
+33: [20:54:35]   done
+33: [20:54:35] -------------------------------------
+33: [20:54:35]     Test github1642: Atom index type is too low for big molecules.
+ 25/235 Test  #34: graphmolcpTest .........................   Passed    0.06 sec
+test 37
+        Start  37: graphmoltestChirality
+
+37: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestChirality
+37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+37: Test timeout computed to be: 1500
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test2
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test3
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test4
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test5
+35: [20:54:35] Done!
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test issue 2892580
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test github issue 53: query molecules not matching [R]
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test queries using qualifiers instead of ==
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test extra atom queries
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test extra bond queries
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test num heteroatom neighbor queries
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test atom type queries
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
+35: [20:54:35] Done!
+35: [20:54:35] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
+35: [20:54:35] Done!
+ 26/235 Test  #35: graphmolqueryTest ......................   Passed    0.05 sec
+test 38
+        Start  38: graphmoltestPickler
+
+38: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPickler
+38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+38: Test timeout computed to be: 1500
+37: --------------------------
+37: --------------------------
+37: C/C=C/C(C)Cl
+ 27/235 Test  #25: pyAlignment ............................   Passed    0.31 sec
+test 39
+        Start  39: graphmoltestPicklerGlobalSetting
+
+39: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
+39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+39: Test timeout computed to be: 1500
+37: [20:54:35] Conflicting single bond directions around double bond at index 2.
+37: [20:54:35]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:54:35] Conflicting single bond directions around double bond at index 4.
+37: [20:54:35]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:54:35] Conflicting single bond directions around double bond at index 15.
+37: [20:54:35]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:54:35] Conflicting single bond directions around double bond at index 2.
+37: [20:54:35]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:54:35] Conflicting single bond directions around double bond at index 1.
+37: [20:54:35]   BondStereo set to STEREONONE and single bond directions set to NONE.
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing String Pickle Roundtrips.
 36: 1 1 2 
 36: 1 1 1 
 36: 2 1 0.75 
 36: path: 2
-36: [00:53:05] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-36: [00:53:05] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-36: [00:53:05] Explicit valence for atom # 0 B, 5, is greater than permitted
-36: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [00:53:05] Explicit valence for atom # 1 Si, 7, is greater than permitted
 28:   done
-37: --------------------------
-37: --------------------------
-37: C/C=C/C(C)Cl
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing String Pickle Roundtrips.
- 28/235 Test  #25: pyAlignment ............................   Passed    0.22 sec
+ 28/235 Test  #28: testUFFForceField ......................   Passed    0.30 sec
 test 40
         Start  40: graphmolIterTest
 
 40: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolIterTest
 40: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 40: Test timeout computed to be: 1500
-39: [00:53:05] 	done
-37: [00:53:05] Conflicting single bond directions around double bond at index 2.
-37: [00:53:05]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [00:53:05] Conflicting single bond directions around double bond at index 4.
-37: [00:53:05]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [00:53:05] Conflicting single bond directions around double bond at index 15.
-37: [00:53:05]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [00:53:05] Conflicting single bond directions around double bond at index 2.
-37: [00:53:05]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [00:53:05] Conflicting single bond directions around double bond at index 1.
-37: [00:53:05]   BondStereo set to STEREONONE and single bond directions set to NONE.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing reading existing pickle file (v2).
- 29/235 Test  #28: testUFFForceField ......................   Passed    0.20 sec
- 30/235 Test  #39: graphmoltestPicklerGlobalSetting .......   Passed    0.03 sec
+39: [20:54:35] 	done
+36: [20:54:35] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+36: [20:54:35] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+36: [20:54:35] Explicit valence for atom # 0 B, 5, is greater than permitted
+36: [20:54:35] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [20:54:35] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [20:54:35] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [20:54:35] Explicit valence for atom # 1 Si, 7, is greater than permitted
+37: --------------------------------------------------
+ 29/235 Test  #37: graphmoltestChirality ..................   Passed    0.08 sec
+ 30/235 Test  #39: graphmoltestPicklerGlobalSetting .......   Passed    0.04 sec
 test 41
         Start  41: hanoiTest
 
@@ -16779,28 +16802,28 @@
 42: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMemTest1
 42: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 42: Test timeout computed to be: 1500
-32: ......
-32: ----------------------------------------------------------------------
-32: Ran 6 tests in 0.002s
-32: 
-32: OK
-37: --------------------------------------------------
-36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
-36: [00:53:05] non-ring atom 0 marked aromatic
-36: [00:53:05] non-ring atom 0 marked aromatic
-36: [00:53:05] Conflicting single bond directions around double bond at index 17.
-36: [00:53:05]   BondStereo set to STEREONONE and single bond directions set to NONE.
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
-36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
-36: starting sanitization
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing combining molecules using pickles.
+41: [20:54:35] Testing the hanoi sort
+41: [20:54:35] populating vectors
+ 31/235 Test  #40: graphmolIterTest .......................   Passed    0.05 sec
+test 43
+        Start  43: resMolSupplierTest
+
+43: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest
+43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+43: Test timeout computed to be: 1500
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing reading existing pickle file (v2).
+ 32/235 Test  #42: graphmolMemTest1 .......................   Passed    0.03 sec
+test 44
+        Start  44: molBundleTest
+
+44: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest
+44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+44: Test timeout computed to be: 1500
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing combining molecules using pickles.
 38: Atoms:
 38: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
 38: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
@@ -16817,37 +16840,44 @@
 38: 	4 4->5 order: 1
 38: 	5 5->6 order: 1
 38: 	6 6->3 order: 1
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing Issue164: Roundtrip Pickle Failure.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing Issue219: Pickle Failure with Conformations.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing Issue220: Pickle problems with bond stereochemistry.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing query serialization.
-38: [00:53:05] C=[$(C=O)]
-38: [00:53:05] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing radical handling in pickles.
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing sf.net issue 2788233.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing sf.net issue 3202580.
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing Issue164: Roundtrip Pickle Failure.
+ 33/235 Test  #44: molBundleTest ..........................   Passed    0.04 sec
+test 45
+        Start  45: testSGroup
+
+45: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup
+45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+45: Test timeout computed to be: 1500
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing Issue219: Pickle Failure with Conformations.
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing Issue220: Pickle problems with bond stereochemistry.
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing query serialization.
+38: [20:54:35] C=[$(C=O)]
+38: [20:54:35] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing radical handling in pickles.
+38: [20:54:35] 	done
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing sf.net issue 2788233.
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing sf.net issue 3202580.
 38:   mass! 13.0034
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing sf.net issue 3316407.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing sf.net issue 3496759.
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing sf.net issue 3316407.
+38: [20:54:35] 	done
+38: [20:54:35] -------------------------------------
+38: [20:54:35] Testing sf.net issue 3496759.
 38: smi match: *C *C
 38: smi match: **=* **=*
 38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
@@ -16858,8 +16888,6 @@
 38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
 38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
 38: smi match: nnnOC=O nnnOC=O
- 31/235 Test  #37: graphmoltestChirality ..................   Passed    0.09 sec
- 32/235 Test  #40: graphmolIterTest .......................   Passed    0.05 sec
 38: smi match: *=C=N *=C=N
 38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F
 38: smi match: SP(S)=S SP(S)=S
@@ -16875,18 +16903,6 @@
 38: smi match: N=C=N N=C=N
 38: smi match: [C-]#[NH+] [C-]#[NH+]
 38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
-test 43
-        Start  43: resMolSupplierTest
-
-43: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest
-43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-43: Test timeout computed to be: 1500
-test 44
-        Start  44: molBundleTest
-
-44: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest
-44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-44: Test timeout computed to be: 1500
 38: smi match: N#CC[OH] N#CC[OH]
 38: smi match: N#CC=O N#CC=O
 38: smi match: N#CS(=O)=O N#CS(=O)=O
@@ -16922,6 +16938,14 @@
 38: smi match: *=N~C *=N~C
 38: smi match: CO*(=O)=O CO*(=O)=O
 38: smi match: * *
+36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
+ 34/235 Test  #45: testSGroup .............................   Passed    0.05 sec
+test 46
+        Start  46: test-valgrind
+
+46: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind
+46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+46: Test timeout computed to be: 1500
 38: smi match: * *
 38: smi match: *C=C *C=C
 38: smi match: N#CS N#CS
@@ -16997,6 +17021,14 @@
 38: smi match: N=CS N=CS
 38: smi match: N=C=N N=C=N
 38: smi match: N=C=O N=C=O
+21: ....................
+21: ----------------------------------------------------------------------
+21: Ran 20 tests in 0.056s
+21: 
+21: OK
+21: Testing Geometry wrapper
+36: [20:54:35] non-ring atom 0 marked aromatic
+36: [20:54:35] non-ring atom 0 marked aromatic
 38: smi match: N=C=S N=C=S
 38: smi match: NOC(=O)O NOC(=O)O
 38: smi match: *C(O)=S *C(O)=S
@@ -17076,6 +17108,22 @@
 38: smi match: *CC *CC
 38: smi match: OCS OCS
 38: smi match: C1NO1 C1NO1
+36: [20:54:35] Conflicting single bond directions around double bond at index 17.
+36: [20:54:35]   BondStereo set to STEREONONE and single bond directions set to NONE.
+36: starting ring finding
+36: done
+ 35/235 Test  #46: test-valgrind ..........................   Passed    0.04 sec
+test 47
+        Start  47: graphmolTestsCatch
+
+47: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+47: Test timeout computed to be: 1500
+32: ......
+32: ----------------------------------------------------------------------
+32: Ran 6 tests in 0.001s
+32: 
+32: OK
 38: smi match: COS(C)(=O)=O COS(C)(=O)=O
 38: smi match: C1CO1 C1CO1
 38: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1
@@ -17098,31 +17146,6 @@
 38: smi match: CN=C=S CN=C=S
 38: smi match: *C=O *C=O
 38: smi match: N=N N=N
-36: done
-36: starting sanitization
-36: done
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
-36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
-36: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
-36: -------------------------------
-36: [00:53:05] Explicit valence for atom # 0 N, 4, is greater than permitted
-36: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-36: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: 
-36: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
-41: [00:53:05] Testing the hanoi sort
-41: [00:53:05] populating vectors
- 33/235 Test  #32: pyDistGeom .............................   Passed    0.20 sec
- 34/235 Test  #42: graphmolMemTest1 .......................   Passed    0.04 sec
 38: smi match: SS SS
 38: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1
 38: smi match: CSC(C)=N CSC(C)=N
@@ -17139,6 +17162,12 @@
 38: smi match: C#CC=O C#CC=O
 38: smi match: *C(=O)C#C *C(=O)C#C
 38: smi match: C=CC=O C=CC=O
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
+36: starting sanitization
 38: smi match: *C(*)(*)O *C(*)(*)O
 38: smi match: COS(O)(=O)=O COS(O)(=O)=O
 38: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-]
@@ -17151,18 +17180,6 @@
 38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
 38: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O
 38: smi match: *C[SH](=O)=O *C[SH](=O)=O
-test 45
-        Start  45: testSGroup
-
-45: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup
-45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-45: Test timeout computed to be: 1500
-test 46
-        Start  46: test-valgrind
-
-46: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind
-46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-46: Test timeout computed to be: 1500
 38: smi match: * *
 38: smi match: *1CC1 *1CC1
 38: smi match: O=COC=O O=COC=O
@@ -17181,6 +17198,8 @@
 38: smi match: N~N~O N~N~O
 38: smi match: *N(~O)(~O)~O *N(~O)(~O)~O
 38: smi match: *[N+](=C)[O-] *[N+](=C)[O-]
+36: done
+36: starting sanitization
 38: smi match: * *
 38: smi match: *C(*)NCN(*)* *C(*)NCN(*)*
 38: smi match: *OCC#N *OCC#N
@@ -17207,226 +17226,76 @@
 38: smi match: *OP(=O)O* *OP(=O)O*
 38: smi match: * *
 38: smi match: * *
-38: smi match: * *
-38: smi match: *N=C(*)* *N=C(*)*
-38: smi match: *C(*)(*)C=O *C(*)(*)C=O
-38: smi match: CSC=O CSC=O
-38: smi match: * *
-38: smi match: O=CCl O=CCl
-38: smi match: *** ***
-38: smi match: *C=O *C=O
-38: smi match: C[OH] C[OH]
-38: smi match: C[OH] C[OH]
-38: smi match: C[OH] C[OH]
-38: smi match: C[OH] C[OH]
-38: smi match: C[CH]=O C[CH]=O
-38: smi match: *=* *=*
-38: smi match: *C *C
-38: smi match: C#C C#C
-38: smi match: *[CH]C=C *[CH]C=C
-38: smi match: cCC(=O)[OH] cCC(=O)[OH]
-38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH]
-38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH]
-38: smi match: C=CC(=O)[OH] C=CC(=O)[OH]
-38: smi match: N#CC(=O)[OH] N#CC(=O)[OH]
-38: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O
-38: smi match: *N(*)C*=O *N(*)C*=O
-38: smi match: O=*C[OH] O=*C[OH]
-38: smi match: *=C*=O *=C*=O
-38: smi match: *=CC#N *=CC#N
-38: smi match: *C[OH] *C[OH]
-38: smi match: ** **
-38: smi match: *C[OH] *C[OH]
-38: smi match: *C(*)=O *C(*)=O
-38: smi match: * *
-38: smi match: *CC(=O)[OH] *CC(=O)[OH]
-38: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O
-38: smi match: *c *c
-38: smi match: CN(C)c CN(C)c
-38: smi match: c c
-38: smi match: *c *c
-38: smi match: *c *c
-38: smi match: **:*cF **:*cF
-38: smi match: cB([OH])[OH] cB([OH])[OH]
-38: smi match: N~N~N N~N~N
-38: smi match: *N=N* *N=N*
-38: smi match: *CC[OH] *CC[OH]
-38: smi match: *CC[OH] *CC[OH]
-38: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH]
-38: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH]
-38: smi match: *CCC(=O)[OH] *CCC(=O)[OH]
-38: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH]
-38: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O
-38: smi match: *OC(*)=O *OC(*)=O
-38: smi match: *C(=O)[OH] *C(=O)[OH]
-38: smi match: O=C[OH] O=C[OH]
-38: smi match: *OC(=O)O* *OC(=O)O*
-38: smi match: * *
-38: smi match: *OC(=O)Cl *OC(=O)Cl
-38: smi match: *C#N *C#N
-38: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
-38: smi match: SS SS
-38: smi match: * *
-38: smi match: *=* *=*
-38: smi match: *=* *=*
-38: smi match: *=* *=*
-38: smi match: *=* *=*
-38: smi match: C1CO1 C1CO1
-38: smi match: *OC(*)=O *OC(*)=O
-38: smi match: * *
-38: smi match: *O*[OH] *O*[OH]
-38: smi match: COC(C)(C)O COC(C)(C)O
-38: smi match: *[OH] *[OH]
-38: smi match: ** **
-38: smi match: C=N[NH2] C=N[NH2]
-38: smi match: C=NC=O C=NC=O
-38: smi match: * *
-38: smi match: C#NC C#NC
-38: smi match: CN=C=O CN=C=O
-38: smi match: CN=C=S CN=C=S
-38: smi match: *OC(*)(*)O* *OC(*)(*)O*
-38: smi match: *C(*)=O *C(*)=O
-38: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
-38: smi match: *~*=O *~*=O
-38: smi match: *~*=O *~*=O
-38: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
-38: smi match: * *
-38: smi match: *C#N *C#N
-38: smi match: *N(=O)~O *N(=O)~O
-38: smi match: N N
-38: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
-38: smi match: C=NO C=NO
-38: smi match: O~O O~O
-38: smi match: c[OH] c[OH]
-38: smi match: O=P(~[OH])~O O=P(~[OH])~O
-38: smi match: CO~P(=O)~O CO~P(=O)~O
-38: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
-38: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
-38: smi match: O=P(~O)~O O=P(~O)~O
-38: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
-38: smi match: C[NH2] C[NH2]
-38: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
-38: smi match: * *
-38: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
-38: smi match: CS(C)~O CS(C)~O
-38: smi match: CS(C)(~O)~O CS(C)(~O)~O
-38: smi match: CS(N)(~O)~O CS(N)(~O)~O
-38: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
-38: smi match: COS(C)(~O)~O COS(C)(~O)~O
-38: smi match: *S(C)(~O)~O *S(C)(~O)~O
-38: smi match: CN(C)C CN(C)C
-38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
-38: smi match: *C(*)=S *C(*)=S
-38: smi match: *OC(*)=S *OC(*)=S
-38: smi match: * *
-38: smi match: C[SH] C[SH]
-38: smi match: c[SH] c[SH]
-38: smi match: NC(N)=S NC(N)=S
-38: smi match: * *
-38: smi match: ***** *****
-38: smi match: NC(N)=O NC(N)=O
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing sf.net issue 280.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing sf.net issue 285.
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing Github2441: Add RDProps interface to Conformers.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing Issue2510: Pickle Confs as double.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing loading pickled mols with conformers
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing conformer reading/writing options
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing property reading options
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing property reading options
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing boost::serialization integration
-38: [00:53:05] 	done
-38: [00:53:05] -------------------------------------
-38: [00:53:05] Testing github issue 6036
- 35/235 Test  #38: graphmoltestPickler ....................   Passed    0.16 sec
- 36/235 Test  #44: molBundleTest ..........................   Passed    0.06 sec
-test 47
-        Start  47: graphmolTestsCatch
-
-47: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-47: Test timeout computed to be: 1500
+38: smi match: * *
+38: smi match: *N=C(*)* *N=C(*)*
+38: smi match: *C(*)(*)C=O *C(*)(*)C=O
+38: smi match: CSC=O CSC=O
+38: smi match: * *
+38: smi match: O=CCl O=CCl
+38: smi match: *** ***
+38: smi match: *C=O *C=O
+38: smi match: C[OH] C[OH]
+38: smi match: C[OH] C[OH]
+38: smi match: C[OH] C[OH]
+38: smi match: C[OH] C[OH]
+38: smi match: C[CH]=O C[CH]=O
+38: smi match: *=* *=*
+38: smi match: *C *C
+38: smi match: C#C C#C
+38: smi match: *[CH]C=C *[CH]C=C
+38: smi match: cCC(=O)[OH] cCC(=O)[OH]
+38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH]
+38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH]
+38: smi match: C=CC(=O)[OH] C=CC(=O)[OH]
+38: smi match: N#CC(=O)[OH] N#CC(=O)[OH]
+38: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O
+47: Randomness seeded to: 2728126176
+47: [20:54:35] WARNING: not removing hydrogen atom without neighbors
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:54:35] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [20:54:35] Explicit valence for atom # 1 N, 6, is greater than permitted
+47: [20:54:35] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [20:54:35] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [20:54:35] Explicit valence for atom # 2 O, 3, is greater than permitted
+47: [20:54:35] Explicit valence for atom # 2 O, 3, is greater than permitted
+47: [20:54:35] non-ring atom 2 marked aromatic
+47: [20:54:35] non-ring atom 2 marked aromatic
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+47: [20:54:35] Explicit valence for atom # 1 O, 3, is greater than permitted
+47: [20:54:35] Explicit valence for atom # 4 F, 2, is greater than permitted
+47: [20:54:35] Can't kekulize mol.  Unkekulized atoms: 6 7 8
+36: done
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
+ 36/235 Test  #21: testPyGeometry .........................   Passed    0.64 sec
 test 48
         Start  48: graphmolOrganometallicsCatch
 
 48: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
 48: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 48: Test timeout computed to be: 1500
-30: ...[00:53:05] Molecule does not have explicit Hs. Consider calling AddHs()
-47: Randomness seeded to: 137179726
-47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 1 N, 6, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 2 O, 3, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 2 O, 3, is greater than permitted
-47: [00:53:05] non-ring atom 2 marked aromatic
-47: [00:53:05] non-ring atom 2 marked aromatic
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-47: [00:53:05] Explicit valence for atom # 1 O, 3, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 4 F, 2, is greater than permitted
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 6 7 8
- 37/235 Test  #45: testSGroup .............................   Passed    0.08 sec
- 38/235 Test  #46: test-valgrind ..........................   Passed    0.06 sec
-47: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
-test 49
-        Start  49: graphmolSGroupCatch
-
-49: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
-49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-49: Test timeout computed to be: 1500
-test 50
-        Start  50: graphmolAdjustQueryCatch
-
-50: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
-50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
-50: Test timeout computed to be: 1500
-47: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
-47: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
-47: [00:53:05] WARNING: not removing hydrogen atom with wedged bond
-47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
-47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
-47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
-47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
-47: [00:53:05] Unreasonable formal charge on atom # 0.
-47: [00:53:05] 
+47: [20:54:35] Explicit valence for atom # 1 C, 5, is greater than permitted
+47: [20:54:35] WARNING: not removing hydrogen atom with dummy atom neighbors
+47: [20:54:35] WARNING: not removing hydrogen atom with dummy atom neighbors
+47: [20:54:35] WARNING: not removing hydrogen atom with wedged bond
+47: [20:54:35] WARNING: not removing hydrogen atom without neighbors
+47: [20:54:35] WARNING: not removing hydrogen atom without neighbors
+47: [20:54:35] WARNING: not removing hydrogen atom without neighbors
+47: [20:54:35] WARNING: not removing hydrogen atom without neighbors
+47: [20:54:35] Unreasonable formal charge on atom # 0.
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17438,20 +17307,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088AC84 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEAC84 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17463,20 +17332,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088ACF8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEACF8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17488,20 +17357,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088AD78 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEAD78 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17513,20 +17382,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088AE40 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEAE40 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17538,20 +17407,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088AEB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEAEB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17563,20 +17432,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088AF3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEAF3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17588,20 +17457,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088B650 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEB650 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17613,20 +17482,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088B06C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEB06C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17638,20 +17507,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088B0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEB0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17663,20 +17532,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088B634 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEB634 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17688,20 +17557,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088B2E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEB2E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:35] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17713,24 +17582,66 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE088B614 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABFEB614 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
-47: [00:53:05] Explicit valence for atom # 1 F greater than permitted
-47: [00:53:05] 
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:54:35] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+38: smi match: *N(*)C*=O *N(*)C*=O
+38: smi match: O=*C[OH] O=*C[OH]
+38: smi match: *=C*=O *=C*=O
+38: smi match: *=CC#N *=CC#N
+38: smi match: *C[OH] *C[OH]
+38: smi match: ** **
+38: smi match: *C[OH] *C[OH]
+38: smi match: *C(*)=O *C(*)=O
+38: smi match: * *
+38: smi match: *CC(=O)[OH] *CC(=O)[OH]
+38: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O
+38: smi match: *c *c
+38: smi match: CN(C)c CN(C)c
+38: smi match: c c
+38: smi match: *c *c
+38: smi match: *c *c
+38: smi match: **:*cF **:*cF
+38: smi match: cB([OH])[OH] cB([OH])[OH]
+38: smi match: N~N~N N~N~N
+38: smi match: *N=N* *N=N*
+38: smi match: *CC[OH] *CC[OH]
+38: smi match: *CC[OH] *CC[OH]
+36: [20:54:35] WARNING: not removing hydrogen atom with dummy atom neighbors
+36: -------------------------------
+38: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH]
+38: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH]
+38: smi match: *CCC(=O)[OH] *CCC(=O)[OH]
+38: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH]
+38: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O
+38: smi match: *OC(*)=O *OC(*)=O
+38: smi match: *C(=O)[OH] *C(=O)[OH]
+38: smi match: O=C[OH] O=C[OH]
+38: smi match: *OC(=O)O* *OC(=O)O*
+38: smi match: * *
+38: smi match: *OC(=O)Cl *OC(=O)Cl
+38: smi match: *C#N *C#N
+38: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
+38: smi match: SS SS
+38: smi match: * *
+38: smi match: *=* *=*
+38: smi match: *=* *=*
+38: smi match: *=* *=*
+47: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+47: [20:54:36] Explicit valence for atom # 1 F greater than permitted
+47: [20:54:36] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17742,20 +17653,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Atom::setQuery(Queries::Query<int, RDKit::Atom const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE083B0EC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABF9B0EC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:36] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17767,20 +17678,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Atom::expandQuery(Queries::Query<int, RDKit::Atom const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE083B178 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABF9B178 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:36] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17792,20 +17703,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Bond::setQuery(Queries::Query<int, RDKit::Bond const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE083AD3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABF9AD3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] 
+47: [20:54:36] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17817,353 +17728,386 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Bond::expandQuery(Queries::Query<int, RDKit::Bond const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000AAAAE083ADC8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
+47:  3# 0x0000AAAAABF9ADC8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000AAAAAC034E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x0000AAAAAC035820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000AAAAAC035C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x0000AAAAAC00A038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x0000AAAAAC00A584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x0000AAAAABF8E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x0000FFFFAE5A229C in /lib/aarch64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x0000AAAAABF8E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [00:53:05] Unusual charge on atom 0 number of radical electrons set to zero
-47: [00:53:05] Unusual charge on atom 0 number of radical electrons set to zero
-47: [00:53:05] Unusual charge on atom 0 number of radical electrons set to zero
-47: [00:53:05] non-ring atom 0 marked aromatic
-47: [00:53:05] non-ring atom 0 marked aromatic
-47: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 3 N, 4, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 15 C, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 11 C, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [00:53:05] Explicit valence for atom # 9 C, 6, is greater than permitted
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 7
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 3
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 3 7
-47: [00:53:05] Can't kekulize mol.  Unkekulized atoms: 3 7
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-48: Randomness seeded to: 3916149693
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:54:36] Unusual charge on atom 0 number of radical electrons set to zero
+47: [20:54:36] Unusual charge on atom 0 number of radical electrons set to zero
+47: [20:54:36] Unusual charge on atom 0 number of radical electrons set to zero
+47: [20:54:36] non-ring atom 0 marked aromatic
+47: [20:54:36] non-ring atom 0 marked aromatic
+47: [20:54:36] Explicit valence for atom # 1 C, 5, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 3 N, 4, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 15 C, 5, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 11 C, 5, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 9 C, 6, is greater than permitted
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 7
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 3
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 3 7
+47: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 3 7
+36: [20:54:36] Explicit valence for atom # 0 N, 4, is greater than permitted
+38: smi match: *=* *=*
+38: smi match: C1CO1 C1CO1
+38: smi match: *OC(*)=O *OC(*)=O
+38: smi match: * *
+38: smi match: *O*[OH] *O*[OH]
+38: smi match: COC(C)(C)O COC(C)(C)O
+38: smi match: *[OH] *[OH]
+38: smi match: ** **
+38: smi match: C=N[NH2] C=N[NH2]
+38: smi match: C=NC=O C=NC=O
+38: smi match: * *
+38: smi match: C#NC C#NC
+38: smi match: CN=C=O CN=C=O
+38: smi match: CN=C=S CN=C=S
+38: smi match: *OC(*)(*)O* *OC(*)(*)O*
+38: smi match: *C(*)=O *C(*)=O
+38: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
+38: smi match: *~*=O *~*=O
+38: smi match: *~*=O *~*=O
+38: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
+38: smi match: * *
+36: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+36: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+36: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+36: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: 
+41: [20:54:36] sorting (hanoi sort) vectors
+47: [20:54:36] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+38: smi match: *C#N *C#N
+38: smi match: *N(=O)~O *N(=O)~O
+38: smi match: N N
+38: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
+38: smi match: C=NO C=NO
+38: smi match: O~O O~O
+38: smi match: c[OH] c[OH]
+38: smi match: O=P(~[OH])~O O=P(~[OH])~O
+38: smi match: CO~P(=O)~O CO~P(=O)~O
+38: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
+38: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
+38: smi match: O=P(~O)~O O=P(~O)~O
+38: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
+38: smi match: C[NH2] C[NH2]
+38: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
+38: smi match: * *
+38: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
+38: smi match: CS(C)~O CS(C)~O
+38: smi match: CS(C)(~O)~O CS(C)(~O)~O
+38: smi match: CS(N)(~O)~O CS(N)(~O)~O
+38: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
+38: smi match: COS(C)(~O)~O COS(C)(~O)~O
+38: smi match: *S(C)(~O)~O *S(C)(~O)~O
+38: smi match: CN(C)C CN(C)C
+38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
+38: smi match: *C(*)=S *C(*)=S
+38: smi match: *OC(*)=S *OC(*)=S
+38: smi match: * *
+38: smi match: C[SH] C[SH]
+47: [20:54:36] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+30: ...[20:54:36] Molecule does not have explicit Hs. Consider calling AddHs()
+38: smi match: c[SH] c[SH]
+38: smi match: NC(N)=S NC(N)=S
+38: smi match: * *
+38: smi match: ***** *****
+38: smi match: NC(N)=O NC(N)=O
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing sf.net issue 280.
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing sf.net issue 285.
+38: [20:54:36] 	done
+38: [20:54:36] 	done
+38: [20:54:36] 	done
+38: [20:54:36] 	done
+38: [20:54:36] 	done
+38: [20:54:36] 	done
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing Github2441: Add RDProps interface to Conformers.
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing Issue2510: Pickle Confs as double.
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing loading pickled mols with conformers
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing conformer reading/writing options
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing property reading options
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing property reading options
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing boost::serialization integration
+38: [20:54:36] 	done
+38: [20:54:36] -------------------------------------
+38: [20:54:36] Testing github issue 6036
+36: [20:54:36] WARNING: not removing hydrogen atom with dummy atom neighbors
+ 37/235 Test  #38: graphmoltestPickler ....................   Passed    0.35 sec
+test 49
+        Start  49: graphmolSGroupCatch
+
+49: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
+49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+49: Test timeout computed to be: 1500
+48: Randomness seeded to: 3267833953
 48: ===============================================================================
 48: All tests passed (62 assertions in 6 test cases)
 48: 
- 39/235 Test  #48: graphmolOrganometallicsCatch ...........   Passed    0.05 sec
-47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+ 38/235 Test  #48: graphmolOrganometallicsCatch ...........   Passed    0.08 sec
+test 50
+        Start  50: graphmolAdjustQueryCatch
+
+50: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
+50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
+50: Test timeout computed to be: 1500
+47: [20:54:36] Explicit valence for atom # 1 O, 3, is greater than permitted
+ 39/235 Test  #32: pyDistGeom .............................   Passed    0.58 sec
 test 51
         Start  51: chiralityTestsCatch
 
 51: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/chiralityTestsCatch
 51: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 51: Test timeout computed to be: 1500
-49: Randomness seeded to: 3165498266
+47: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+47: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
+47: [20:54:36] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
+47: [20:54:36] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
+47: [20:54:36] non-ring atom 0 marked aromatic
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+49: Randomness seeded to: 2855017308
 49: ===============================================================================
 49: All tests passed (136 assertions in 8 test cases)
 49: 
- 40/235 Test  #49: graphmolSGroupCatch ....................   Passed    0.04 sec
+ 40/235 Test  #49: graphmolSGroupCatch ....................   Passed    0.06 sec
 test 52
         Start  52: canonTestsCatch
 
 52: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/canonTestsCatch
 52: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 52: Test timeout computed to be: 1500
-41: [00:53:05] sorting (hanoi sort) vectors
-51: Randomness seeded to: 1778770885
-51: [00:53:05]  unable to set wavy bonds for double bonds: 3
-51: [00:53:05] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-51: [00:53:05] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-47: [00:53:06] Explicit valence for atom # 1 O, 3, is greater than permitted
-47: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-47: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-51: [00:53:06] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-51: [00:53:06] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-51: [00:53:06] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
-47: [00:53:06] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
-47: [00:53:06] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
-47: [00:53:06] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
-47: [00:53:06] non-ring atom 0 marked aromatic
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-51: ===============================================================================
-51: All tests passed (2267 assertions in 79 test cases)
-51: 
- 41/235 Test  #51: chiralityTestsCatch ....................   Passed    0.08 sec
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+50: Randomness seeded to: 3904070048
+50: ===============================================================================
+50: All tests passed (283 assertions in 11 test cases)
+50: 
+ 41/235 Test  #50: graphmolAdjustQueryCatch ...............   Passed    0.08 sec
 test 53
         Start  53: moliteratorTestsCatch
 
 53: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
 53: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 53: Test timeout computed to be: 1500
-50: Randomness seeded to: 624791561
-50: ===============================================================================
-50: All tests passed (283 assertions in 11 test cases)
-50: 
- 42/235 Test  #50: graphmolAdjustQueryCatch ...............   Passed    0.12 sec
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+51: Randomness seeded to: 1464369741
+51: [20:54:36]  unable to set wavy bonds for double bonds: 3
+51: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+51: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+53: Randomness seeded to: 1617016716
+53: ===============================================================================
+53: All tests passed (14 assertions in 4 test cases)
+53: 
+ 42/235 Test  #53: moliteratorTestsCatch ..................   Passed    0.03 sec
 test 54
         Start  54: queryTestsCatch
 
 54: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/queryTestsCatch
 54: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 54: Test timeout computed to be: 1500
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-53: Randomness seeded to: 2205203964
-53: ===============================================================================
-53: All tests passed (14 assertions in 4 test cases)
-53: 
- 43/235 Test  #53: moliteratorTestsCatch ..................   Passed    0.04 sec
+47: [20:54:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:54:36] Explicit valence for atom # 0 Al, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 Al, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 Si, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 Si, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 P, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 P, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 P, 7, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 P, 7, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 As, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 As, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 As, 7, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 As, 7, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 Sb, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 Sb, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 Sb, 7, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 0 Sb, 7, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 Bi, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 Bi, 6, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 Bi, 8, is greater than permitted
+47: [20:54:36] Explicit valence for atom # 1 Bi, 8, is greater than permitted
+47: ===============================================================================
+47: All tests passed (4464 assertions in 106 test cases)
+47: 
+51: [20:54:36] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+51: [20:54:36] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+51: [20:54:36] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
+ 43/235 Test  #47: graphmolTestsCatch .....................   Passed    0.27 sec
 test 55
         Start  55: molbundleTestsCatch
 
 55: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molbundleTestsCatch
 55: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 55: Test timeout computed to be: 1500
-54: Randomness seeded to: 3275723778
+54: Randomness seeded to: 2931664968
 54: ===============================================================================
 54: All tests passed (10 assertions in 1 test case)
 54: 
- 44/235 Test  #54: queryTestsCatch ........................   Passed    0.03 sec
+51: ===============================================================================
+51: All tests passed (2267 assertions in 79 test cases)
+51: 
+ 44/235 Test  #51: chiralityTestsCatch ....................   Passed    0.14 sec
+ 45/235 Test  #54: queryTestsCatch ........................   Passed    0.04 sec
 test 56
         Start  56: pickleTestsCatch
 
 56: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/pickleTestsCatch
 56: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 56: Test timeout computed to be: 1500
-55: Randomness seeded to: 3637623492
-55: ===============================================================================
-55: All tests passed (6 assertions in 1 test case)
-55: 
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
- 45/235 Test  #55: molbundleTestsCatch ....................   Passed    0.03 sec
 test 57
         Start  57: tableTestsCatch
 
 57: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/tableTestsCatch
 57: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 57: Test timeout computed to be: 1500
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-56: Randomness seeded to: 2105312874
-56: ===============================================================================
-56: All tests passed (45 assertions in 4 test cases)
-56: 
- 46/235 Test  #56: pickleTestsCatch .......................   Passed    0.04 sec
-30: ......[00:53:06] Molecule does not have explicit Hs. Consider calling AddHs()
+55: Randomness seeded to: 4252019408
+55: ===============================================================================
+55: All tests passed (6 assertions in 1 test case)
+55: 
+ 46/235 Test  #55: molbundleTestsCatch ....................   Passed    0.04 sec
 test 58
         Start  58: molopsTestsCatch
 
 58: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molopsTestsCatch
 58: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
 58: Test timeout computed to be: 1500
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-57: Randomness seeded to: 4288511620
+57: Randomness seeded to: 1362237711
 57: ===============================================================================
 57: All tests passed (7 assertions in 2 test cases)
 57: 
- 47/235 Test  #57: tableTestsCatch ........................   Passed    0.04 sec
+ 47/235 Test  #57: tableTestsCatch ........................   Passed    0.03 sec
 test 59
         Start  59: smiTest1
 
 59: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
 59: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 59: Test timeout computed to be: 1500
-58: Randomness seeded to: 819906807
-58: ===============================================================================
-58: All tests passed (79 assertions in 6 test cases)
-58: 
- 48/235 Test  #58: molopsTestsCatch .......................   Passed    0.06 sec
+56: Randomness seeded to: 1135035361
+56: ===============================================================================
+56: All tests passed (45 assertions in 4 test cases)
+56: 
+ 48/235 Test  #56: pickleTestsCatch .......................   Passed    0.07 sec
 test 60
         Start  60: smiTest2
 
 60: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
 60: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 60: Test timeout computed to be: 1500
-47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [00:53:06] Explicit valence for atom # 0 Al, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 Al, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 Si, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 Si, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 P, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 P, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 P, 7, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 P, 7, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 As, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 As, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 As, 7, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 As, 7, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 Sb, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 Sb, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 Sb, 7, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 0 Sb, 7, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 Bi, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 Bi, 6, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 Bi, 8, is greater than permitted
-47: [00:53:06] Explicit valence for atom # 1 Bi, 8, is greater than permitted
-47: ===============================================================================
-47: All tests passed (4464 assertions in 106 test cases)
-47: 
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-60: [00:53:06] SMILES Parse Error: syntax error while parsing: -
-60: [00:53:06] SMILES Parse Error: check for mistakes around position 1:
-60: [00:53:06] -
-60: [00:53:06] ^
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-60: [00:53:06] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
-60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
- 49/235 Test  #47: graphmolTestsCatch .....................   Passed    0.33 sec
- 50/235 Test  #60: smiTest2 ...............................   Passed    0.02 sec
+58: Randomness seeded to: 3535551640
+58: ===============================================================================
+58: All tests passed (79 assertions in 6 test cases)
+58: 
+30: ......[20:54:36] Molecule does not have explicit Hs. Consider calling AddHs()
+ 49/235 Test  #58: molopsTestsCatch .......................   Passed    0.07 sec
 test 61
         Start  61: cxsmilesTest
 
 61: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
 61: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 61: Test timeout computed to be: 1500
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+60: [20:54:36] SMILES Parse Error: syntax error while parsing: -
+60: [20:54:36] SMILES Parse Error: check for mistakes around position 1:
+60: [20:54:36] -
+60: [20:54:36] ^
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+60: [20:54:36] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
+60: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
+ 50/235 Test  #60: smiTest2 ...............................   Passed    0.03 sec
 test 62
         Start  62: smaTest1
 
 62: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
 62: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 62: Test timeout computed to be: 1500
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
-59: [00:53:06] Invalid chiral specification on atom 0
-59: [00:53:06] Invalid chiral specification on atom 0
-59: [00:53:06] Invalid chiral specification on atom 0
-59: [00:53:06] Invalid chiral specification on atom 0
-59: [00:53:06] Invalid chiral specification on atom 0
-59: [00:53:06] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
-59: [00:53:06] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
-36: [00:53:06] Maximum BFS search size exceeded.
-36: This is likely due to a highly symmetric fused ring system.
+59: [20:54:36] WARNING: not removing hydrogen atom without neighbors
+59: [20:54:36] Invalid chiral specification on atom 0
+59: [20:54:36] Invalid chiral specification on atom 0
+59: [20:54:36] Invalid chiral specification on atom 0
+59: [20:54:36] Invalid chiral specification on atom 0
+59: [20:54:36] Invalid chiral specification on atom 0
+59: [20:54:36] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
+59: [20:54:36] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
 59: --C1CCC2(CC1)CCCCC2CCC1CCCC1
-59: smi: ClC1CCCCC1
-59: smi: ClC1CCCCC1
-59: smi: ClC1CCCCC1Br
-59: smi: c1ccccc1
-59: smi: c1ccncc1
-59: smi: c1cc[nH]c1
-59: smi: c1cc[nH]c1
-59: smi: c1cc[pH]c1
-59: [00:53:06] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-59: [00:53:06] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-59: CbC(aC)aC
-59: CaC(bC)aC
-59: CbC(bC)aC
-59: O.C
-59: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
-59: [00:53:06] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
-59: [00:53:06] SMILES Parse Error: check for mistakes around position 4:
-59: [00:53:06] c%()ccccc%()
-59: [00:53:06] ~~~^
-59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
-59: [00:53:06] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
-59: [00:53:06] SMILES Parse Error: check for mistakes around position 9:
-59: [00:53:06] c%(100000)ccccc%(100000)
-59: [00:53:06] ~~~~~~~~^
-59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
-59: [00:53:06] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
-59: [00:53:06] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
-59: [00:53:06] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [00:53:06] SMILES Parse Error: check for mistakes around position 14:
-59: [00:53:06] COc(c1)cccc1C#
-59: [00:53:06] ~~~~~~~~~~~~~^
-59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [00:53:06] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [00:53:06] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [00:53:06] SMILES Parse Error: check for mistakes around position 14:
-59: [00:53:06] COc(c1)cccc1C#
-59: [00:53:06] ~~~~~~~~~~~~~^
-59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [00:53:06] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [00:53:06] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [00:53:06] SMILES Parse Error: check for mistakes around position 14:
-59: [00:53:06] COc(c1)cccc1C#
-59: [00:53:06] ~~~~~~~~~~~~~^
-59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [00:53:06] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: C=c1s/c2n(c1=O)CCCCCCC\N=2
-59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
-59: [00:53:06] SMILES Parse Error: extra close parentheses while parsing: C)
-59: [00:53:06] SMILES Parse Error: check for mistakes around position 2:
-59: [00:53:06] C)
-59: [00:53:06] ~^
-59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
- 51/235 Test  #59: smiTest1 ...............................   Passed    0.18 sec
-test 63
-        Start  63: smiTestCatch
-
-63: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
-63: Test timeout computed to be: 1500
-30: ...
-30: ----------------------------------------------------------------------
-30: Ran 12 tests in 0.534s
-30: 
-30: OK
-62: [00:53:06] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
-62: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
-62: [00:53:06] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
-62: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
-63: Randomness seeded to: 1255396514
-63: [00:53:06] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-63: [00:53:06] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-62: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-62: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-63: [00:53:06] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
-63: [00:53:06] SMARTS Parse Error: unclosed ring for input: 'C1C'
- 52/235 Test  #62: smaTest1 ...............................   Passed    0.14 sec
-test 64
-        Start  64: nontetrahedralCatch
-
-64: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
-64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
-64: Test timeout computed to be: 1500
-63: [00:53:06] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-63: [00:53:06] SMARTS Parse Error: syntax error while parsing: C)foo
-63: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
-63: [00:53:06] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
-63: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
-63: [00:53:06] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
-61: Randomness seeded to: 1989579587
+62: [20:54:36] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
+62: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
+62: [20:54:36] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
+62: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
+62: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+62: [20:54:36] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+61: Randomness seeded to: 2025694636
 61: Test
 61: 
 61:  ShortAtropisomerNoCoords.cxsmi
@@ -18224,16 +18168,33 @@
 61: 
 61:  BMS-986142_atrop5.cxsmi
 61: 
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+ 51/235 Test  #62: smaTest1 ...............................   Passed    0.16 sec
+test 63
+        Start  63: smiTestCatch
+
+63: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
+63: Test timeout computed to be: 1500
+59: smi: ClC1CCCCC1
+59: smi: ClC1CCCCC1
+59: smi: ClC1CCCCC1Br
+59: smi: c1ccccc1
+59: smi: c1ccncc1
+59: smi: c1cc[nH]c1
+59: smi: c1cc[nH]c1
+59: smi: c1cc[pH]c1
+59: [20:54:36] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+59: [20:54:36] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 61: Test
 61: 
 61:  BMS-986142_atrop6.cxsmi
@@ -18242,22 +18203,88 @@
 61: 
 61:  BMS-986142_atropBad1.cxsmi
 61: 
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-64: Randomness seeded to: 3807040124
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+59: CbC(aC)aC
+59: CaC(bC)aC
+59: CbC(bC)aC
+59: O.C
+59: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
+30: ...
+30: ----------------------------------------------------------------------
+30: Ran 12 tests in 0.552s
+30: 
+30: OK
+59: [20:54:36] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
+59: [20:54:36] SMILES Parse Error: check for mistakes around position 4:
+59: [20:54:36] c%()ccccc%()
+59: [20:54:36] ~~~^
+59: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
+59: [20:54:36] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
+59: [20:54:36] SMILES Parse Error: check for mistakes around position 9:
+59: [20:54:36] c%(100000)ccccc%(100000)
+59: [20:54:36] ~~~~~~~~^
+59: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
+59: [20:54:36] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
+59: [20:54:36] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
 61: Test
 61: 
 61:  BMS-986142_atropBad2.cxsmi
 61: 
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+59: [20:54:36] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:54:36] SMILES Parse Error: check for mistakes around position 14:
+59: [20:54:36] COc(c1)cccc1C#
+59: [20:54:36] ~~~~~~~~~~~~~^
+59: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:54:36] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:54:36] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:54:36] SMILES Parse Error: check for mistakes around position 14:
+59: [20:54:36] COc(c1)cccc1C#
+59: [20:54:36] ~~~~~~~~~~~~~^
+59: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:54:36] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:54:36] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:54:36] SMILES Parse Error: check for mistakes around position 14:
+59: [20:54:36] COc(c1)cccc1C#
+59: [20:54:36] ~~~~~~~~~~~~~^
+59: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:54:36] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: C=c1s/c2n(c1=O)CCCCCCC\N=2
+59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
+59: [20:54:36] SMILES Parse Error: extra close parentheses while parsing: C)
+59: [20:54:36] SMILES Parse Error: check for mistakes around position 2:
+59: [20:54:36] C)
+59: [20:54:36] ~^
+59: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+63: Randomness seeded to: 1935168866
+63: [20:54:36] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+63: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+63: [20:54:36] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
+ 52/235 Test  #59: smiTest1 ...............................   Passed    0.27 sec
+test 64
+        Start  64: nontetrahedralCatch
+
+64: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
+64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
+64: Test timeout computed to be: 1500
+63: [20:54:36] SMARTS Parse Error: unclosed ring for input: 'C1C'
+63: [20:54:36] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+63: [20:54:36] SMARTS Parse Error: syntax error while parsing: C)foo
+63: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
+63: [20:54:36] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
+63: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
+63: [20:54:36] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
 61: Test
 61: 
 61:  JDQ443_3d.cxsmi
@@ -18282,14 +18309,18 @@
 61: 
 61:  JDQ443_atropBad1.cxsmi
 61: 
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-63: [00:53:06] w block attempts to set wedging on bond 0 more than once.
-63: [00:53:06] improperly formatted w block
-63: [00:53:06] atom 3 is not associated with bond 1(1-2) in w block
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+64: Randomness seeded to: 3440793449
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
 61: Test
 61: 
 61:  RP-6306_atrop1.cxsmi
@@ -18310,16 +18341,21 @@
 61: 
 61:  RP-6306_atrop5.cxsmi
 61: 
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:54:36] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+63: [20:54:36] w block attempts to set wedging on bond 0 more than once.
+63: [20:54:36] improperly formatted w block
+63: [20:54:36] atom 3 is not associated with bond 1(1-2) in w block
 61: Test
 61: 
 61:  RP-6306_atrop6.cxsmi
@@ -18328,24 +18364,34 @@
 61: 
 61:  RP-6306_atropBad1.cxsmi
 61: 
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+36: [20:54:36] Maximum BFS search size exceeded.
+36: This is likely due to a highly symmetric fused ring system.
+64: [20:54:36] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
+64: ===============================================================================
+64: All tests passed (308 assertions in 9 test cases)
+64: 
+ 53/235 Test  #64: nontetrahedralCatch ....................   Passed    0.11 sec
+test 65
+        Start  65: v2smiTestCatch
+
+65: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
+65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
+65: Test timeout computed to be: 1500
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
 61: Test
 61: 
 61:  RP-6306_atropBad2.cxsmi
 61: 
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-63: [00:53:06] 
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+63: [20:54:36] 
 63: 
 63: ****
 63: Range Error
@@ -18361,22 +18407,27 @@
 63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
 63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
 63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  7# 0x0000AAAAB9259B2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  8# 0x0000AAAAB92AD50C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  9# 0x0000AAAAB92ADEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 10# 0x0000AAAAB92AE2F4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 11# 0x0000AAAAB92826B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 12# 0x0000AAAAB9282C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 13# 0x0000AAAAB9215810 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 14# 0x0000FFFF895A229C in /lib/aarch64-linux-gnu/libc.so.6
+63:  7# 0x0000AAAAB5129B2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  8# 0x0000AAAAB517D50C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  9# 0x0000AAAAB517DEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 10# 0x0000AAAAB517E2F4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 11# 0x0000AAAAB51526B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 12# 0x0000AAAAB5152C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 13# 0x0000AAAAB50E5810 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 14# 0x0000FFFFA87B229C in /lib/aarch64-linux-gnu/libc.so.6
 63: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-63: 16# 0x0000AAAAB92158F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 16# 0x0000AAAAB50E58F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
 63: ----------
 63: ****
 63: 
-36: [00:53:06] Maximum BFS search size exceeded.
-36: This is likely due to a highly symmetric fused ring system.
-63: [00:53:06] 
+ 54/235 Test  #30: pyForceFieldConstraints ................   Passed    1.21 sec
+test 66
+        Start  66: testDepictor
+
+66: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/testDepictor
+66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
+66: Test timeout computed to be: 1500
+63: [20:54:36] 
 63: 
 63: ****
 63: Range Error
@@ -18392,45 +18443,42 @@
 63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
 63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
 63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  7# 0x0000AAAAB9259B2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  8# 0x0000AAAAB92AD50C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  9# 0x0000AAAAB92ADEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 10# 0x0000AAAAB92AE2F4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 11# 0x0000AAAAB92826B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 12# 0x0000AAAAB9282C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 13# 0x0000AAAAB9215810 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 14# 0x0000FFFF895A229C in /lib/aarch64-linux-gnu/libc.so.6
+63:  7# 0x0000AAAAB5129B2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  8# 0x0000AAAAB517D50C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  9# 0x0000AAAAB517DEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 10# 0x0000AAAAB517E2F4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 11# 0x0000AAAAB51526B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 12# 0x0000AAAAB5152C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 13# 0x0000AAAAB50E5810 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 14# 0x0000FFFFA87B229C in /lib/aarch64-linux-gnu/libc.so.6
 63: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-63: 16# 0x0000AAAAB92158F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 16# 0x0000AAAAB50E58F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
 63: ----------
 63: ****
 63: 
-63: [00:53:06] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
-63: [00:53:06] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
-63: [00:53:06] SMARTS Parse Error: syntax error while parsing: C1C)foo
-63: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
-63: [00:53:06] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
-63: [00:53:06] SMILES Parse Error: check for mistakes around position 4:
-63: [00:53:06] C1C)foo
-63: [00:53:06] ~~~^
-63: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
+63: [20:54:36] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
+63: [20:54:36] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
+63: [20:54:36] SMARTS Parse Error: syntax error while parsing: C1C)foo
+63: [20:54:36] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
+63: [20:54:36] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
+63: [20:54:36] SMILES Parse Error: check for mistakes around position 4:
+63: [20:54:36] C1C)foo
+63: [20:54:36] ~~~^
+63: [20:54:36] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
+65: Randomness seeded to: 3497505122
+65: ===============================================================================
+65: All tests passed (14 assertions in 2 test cases)
+65: 
+ 55/235 Test  #65: v2smiTestCatch .........................   Passed    0.04 sec
+test 67
+        Start  67: depictorCatch
+
+67: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
+67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
+67: Test timeout computed to be: 1500
 63: ===============================================================================
 63: All tests passed (1584 assertions in 68 test cases)
 63: 
- 53/235 Test  #63: smiTestCatch ...........................   Passed    0.12 sec
-test 65
-        Start  65: v2smiTestCatch
-
-65: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
-65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
-65: Test timeout computed to be: 1500
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-36: F/C=C/Cl
-36: [H]/C(F)=C(/[H])Cl
-36: F/C=C/Cl
-36: F/C=C/Cl
-36: C/C(F)=C(/C)Cl
 61: Test
 61: 
 61:  RP-6306_3d.cxsmi
@@ -18455,74 +18503,41 @@
 61: 
 61:  Sotorasib_atrop5.cxsmi
 61: 
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-36: [00:53:06] -----------------------
-36:  Testing isRingFused 
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:54:36] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+ 56/235 Test  #63: smiTestCatch ...........................   Passed    0.22 sec
+test 68
+        Start  68: pyDepictor
+
+68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
+68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap
+68: Test timeout computed to be: 1500
 61: Test
 61: 
 61:  Sotorasib_atropBad1.cxsmi
 61: 
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
- 54/235 Test  #36: graphmolMolOpsTest .....................   Passed    0.79 sec
-test 66
-        Start  66: testDepictor
-
-66: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/testDepictor
-66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
-66: Test timeout computed to be: 1500
-65: Randomness seeded to: 244417617
-65: ===============================================================================
-65: All tests passed (14 assertions in 2 test cases)
-65: 
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
 61: Test
 61: 
 61:  Sotorasib_atropBad2.cxsmi
 61: 
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-64: [00:53:06] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
-64: ===============================================================================
-64: All tests passed (308 assertions in 9 test cases)
-64: 
- 55/235 Test  #30: pyForceFieldConstraints ................   Passed    0.89 sec
- 56/235 Test  #64: nontetrahedralCatch ....................   Passed    0.13 sec
- 57/235 Test  #65: v2smiTestCatch .........................   Passed    0.05 sec
-test 67
-        Start  67: depictorCatch
-
-67: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
-67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
-67: Test timeout computed to be: 1500
-test 68
-        Start  68: pyDepictor
-
-68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
-68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap
-68: Test timeout computed to be: 1500
-test 69
-        Start  69: testMrvToMol
-
-69: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse
-69: Test timeout computed to be: 1500
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [20:54:36] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
 61: Test
 61: 
 61:  Sotorasib_3d.cxsmi
@@ -18547,11 +18562,11 @@
 61: 
 61:  ZM374979_atropBad1.cxsmi
 61: 
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
 61: Test
 61: 
 61:  Mrtx1719_3d.cxsmi
@@ -18576,11 +18591,22 @@
 61: 
 61:  Mrtx1719_atropBad1.cxsmi
 61: 
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [20:54:36] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+67: Randomness seeded to: 1154649774
+67: ===============================================================================
+67: All tests passed (580 assertions in 18 test cases)
+67: 
+ 57/235 Test  #67: depictorCatch ..........................   Passed    0.14 sec
+test 69
+        Start  69: testMrvToMol
+
+69: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse
+69: Test timeout computed to be: 1500
 69: Using new chirality perception
 69: Test
 69: 
@@ -18590,7 +18616,8 @@
 69: 
 69:  145323811.mol
 69: 
-69: [00:53:06] unsupported number of radical electrons 5
+69: [20:54:36] unsupported number of radical electrons 5
+66: [20:54:36] Warning: stereochemistry around double bond may be incorrect in depiction.
 69: Test
 69: 
 69:  NewChiralTest.sdf
@@ -18623,13 +18650,9 @@
 69: 
 69:  ProblemShort.mol
 69: 
-69: [00:53:06] For a MultipleSgroup expansion, the matching orphaned bond was not found
+69: [20:54:37] For a MultipleSgroup expansion, the matching orphaned bond was not found
 69: The multiple sgroup will be ignored
-67: Randomness seeded to: 877696197
-67: ===============================================================================
-67: All tests passed (580 assertions in 18 test cases)
-67: 
- 58/235 Test  #67: depictorCatch ..........................   Passed    0.22 sec
+ 58/235 Test  #66: testDepictor ...........................   Passed    0.36 sec
 test 70
         Start  70: fileParsersTest1
 
@@ -18638,128 +18661,130 @@
 70: Test timeout computed to be: 1500
 70: ***************************************
 70: ***************************************
-70: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [00:53:06] bond with order 0 found on line 7. This is not part of the MDL specification.
-70: [00:53:06] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-70: [00:53:06] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-70: [00:53:06] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+70: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:54:37] bond with order 0 found on line 7. This is not part of the MDL specification.
+70: [20:54:37] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+70: [20:54:37] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+70: [20:54:37] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 70: generating smiles
 70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
 70: converting back
 70: check isomorphism
-66: [00:53:06] Warning: stereochemistry around double bond may be incorrect in depiction.
- 59/235 Test  #66: testDepictor ...........................   Passed    0.41 sec
+36: [20:54:37] Maximum BFS search size exceeded.
+36: This is likely due to a highly symmetric fused ring system.
+36: F/C=C/Cl
+36: [H]/C(F)=C(/[H])Cl
+36: F/C=C/Cl
+36: F/C=C/Cl
+36: C/C(F)=C(/C)Cl
+36: [20:54:37] -----------------------
+36:  Testing isRingFused 
+ 59/235 Test  #36: graphmolMolOpsTest .....................   Passed    1.54 sec
 test 71
         Start  71: testAtropisomers
 
 71: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers
 71: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 71: Test timeout computed to be: 1500
-71: [00:53:06]  ---- Running with POSIX locale ----- 
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: Test
-61: 
-61:  AtropCanon1.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropCanon2.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropCanon3.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d_chiral.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d.cxsmi
-61: 
-61: ===============================================================================
-61: All tests passed (2445 assertions in 29 test cases)
-61: 
- 60/235 Test  #61: cxsmilesTest ...........................   Passed    0.75 sec
+71: [20:54:37]  ---- Running with POSIX locale ----- 
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+71: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: Atropisomers- 1 hits   3 misses
+71: Final results:
+71: Found atropisomers in TestMultInSDF.sdf - 1 hits   4 misses
+ 60/235 Test  #71: testAtropisomers .......................   Passed    0.27 sec
 test 72
         Start  72: testSquiggleDoubleBonds
 
 72: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds
 72: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 72: Test timeout computed to be: 1500
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-72: Randomness seeded to: 3996379545
+72: Randomness seeded to: 59068855
 72: ===============================================================================
 72: All tests passed (15 assertions in 3 test cases)
 72: 
- 61/235 Test  #72: testSquiggleDoubleBonds ................   Passed    0.02 sec
+ 61/235 Test  #72: testSquiggleDoubleBonds ................   Passed    0.04 sec
 test 73
         Start  73: testMolSupplier
 
 73: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
 73: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 73: Test timeout computed to be: 1500
+73: [20:54:37] 
+73: -----------------------------------------
 69: Test
 69: 
 69:  badWedgeError.sdf
@@ -19072,15 +19097,30 @@
 69: 
 69:  MulticenterSgroup.mrv
 69: 
-69: [00:53:06] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-69: [00:53:06] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: [20:54:37] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+69: [20:54:37] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+73: [20:54:37] 
+73: 
+73: ****
+73: Invariant Violation
+73: bad prop value
+73: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+73: Failed Expression: nSwaps < 2
+73: ----------
+73: Stacktrace:
+73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  2# 0x0000FFFF8AD25C7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  4# 0x0000AAAAACFAD59C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  5# 0x0000AAAAACFA2A68 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  6# 0x0000AAAAACF70E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  7# 0x0000FFFF8A32229C in /lib/aarch64-linux-gnu/libc.so.6
+73:  8# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+73:  9# 0x0000AAAAACF727F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73: ----------
+73: ****
+73: 
 69: Test
 69: 
 69:  GenericSgroup.mrv
@@ -19113,7 +19153,7 @@
 69: 
 69:  MarvinBadMissingMolID.mrv
 69: 
-69: [00:53:06] 
+69: [20:54:37] 
 69: 
 69: ****
 69: Test Assert
@@ -19124,12 +19164,12 @@
 69: Stacktrace:
 69:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 69:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-69:  2# 0x0000AAAACB55AC5C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  3# 0x0000AAAACB565D5C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  4# 0x0000AAAACB554918 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  5# 0x0000FFFF96D4229C in /lib/aarch64-linux-gnu/libc.so.6
+69:  2# 0x0000AAAAC583AC5C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  3# 0x0000AAAAC5845D5C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  4# 0x0000AAAAC5834918 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  5# 0x0000FFFFAA93229C in /lib/aarch64-linux-gnu/libc.so.6
 69:  6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-69:  7# 0x0000AAAACB554B70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  7# 0x0000AAAAC5834B70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
 69: ----------
 69: ****
 69: 
@@ -19209,9 +19249,6 @@
 69:  MarvinBadSruAtomRef.mrv
 69: 
 69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
 69: Test
 69: 
 69:  MarvinBadSruAtomRef.mrv
@@ -19257,37 +19294,113 @@
 69:  MarvinBadSupMissingAttachBond.mrv
 69: 
 69: No attachment point found for bond to the condensed atom in a superatomSgroup
-73: [00:53:07] 
-73: -----------------------------------------
 69: Test
 69: 
 69:  MarvinBadSupMissingAttachOrder.mrv
 69: 
 69: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
-73: [00:53:07] 
+70: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:37]  deprecated group abbreviation ignored on line 24
+70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+70: [20:54:37] 
+70: 
+70: ****
+70: Post-condition Violation
+70: Element 'Mv' not found
+70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+70: Failed Expression: anum > -1
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  3# 0x0000FFFFBBB87FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  4# 0x0000FFFFBBB95BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  5# 0x0000FFFFBBB96AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  9# 0x0000AAAAE2EBF83C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 10# 0x0000AAAAE2F34B44 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 11# 0x0000AAAAE2EA5CB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 12# 0x0000FFFFBB25229C in /lib/aarch64-linux-gnu/libc.so.6
+70: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+70: 14# 0x0000AAAAE2EA5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+61: Test
+61: 
+61:  AtropCanon1.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropCanon2.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropCanon3.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d_chiral.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d.cxsmi
+61: 
+61: ===============================================================================
+61: All tests passed (2445 assertions in 29 test cases)
+61: 
+ 62/235 Test  #61: cxsmilesTest ...........................   Passed    1.35 sec
+test 74
+        Start  74: testGeneralFileReader
+
+74: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
+74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+74: Test timeout computed to be: 1500
+73: [20:54:37] Finished: testMolSup()
+73: [20:54:37] -----------------------------------------
 73: 
-73: ****
-73: Invariant Violation
-73: bad prop value
-73: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-73: Failed Expression: nSwaps < 2
-73: ----------
-73: Stacktrace:
-73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  2# 0x0000FFFF997A5C7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  4# 0x0000AAAAAEE0D59C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  5# 0x0000AAAAAEE02A68 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  6# 0x0000AAAAAEDD0E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  7# 0x0000FFFF98DA229C in /lib/aarch64-linux-gnu/libc.so.6
-73:  8# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-73:  9# 0x0000AAAAAEDD27F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73: ----------
-73: ****
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testRandMolSup()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+74: [20:54:37] 
+74: -----------------------------------------
+74: [20:54:37] Finished: testDetermineFormat()
+74: [20:54:37] -----------------------------------------
+74: 
+74: [20:54:37] 
+74: -----------------------------------------
+73: [20:54:37] Finished: testSmilesSup()
+73: [20:54:37] -----------------------------------------
 73: 
-71: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] ------------------------------------------------------
+73: [20:54:37] SMILES Parse Error: syntax error while parsing: fail
+73: [20:54:37] SMILES Parse Error: check for mistakes around position 1:
+73: [20:54:37] fail
+73: [20:54:37] ^
+73: [20:54:37] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+73: [20:54:37] ERROR: Smiles parse error on line 3
+73: [20:54:37] ERROR: Cannot create molecule from : 'fail'
+73: [20:54:37] ------------------------------------------------------
+73: [20:54:37] ------------------------------------------------------
+73: [20:54:37] >>> This may result in an infinite loop.  It should finish almost immediately:
+73: [20:54:37] <<< done.
+73: [20:54:37] Finished: testSmilesSupFromText()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testSmilesWriter()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
 69: Test
 69: 
 69:  marvin03.mrv
@@ -19352,18 +19465,34 @@
 69: 
 69:  BMS-986142_atrop5.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: Atropisomers- 1 hits   3 misses
-71: Final results:
-71: Found atropisomers in TestMultInSDF.sdf - 1 hits   4 misses
- 62/235 Test  #71: testAtropisomers .......................   Passed    0.16 sec
-test 74
-        Start  74: testGeneralFileReader
-
-74: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
-74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-74: Test timeout computed to be: 1500
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+73: [20:54:37] Finished: testSDWriter()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testSDSupplierEnding()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testSuppliersEmptyFile()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testCisTrans()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testStereoRound()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:54:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:54:37] Finished: testIssue226()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
 69: Test
 69: 
 69:  BMS-986142_atrop6.mrv
@@ -19376,13 +19505,129 @@
 69: 
 69:  BMS-986142_atrop8.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+73: [20:54:37] Finished: testTDTSupplier1()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testTDTSupplier2()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testTDTSupplier3()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testSDSupplierFromText()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] ERROR: Problems encountered parsing data fields
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] ERROR: Problems encountered parsing data fields
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Spurious data before the first property will be ignored
+73: [20:54:37] Property <ID> will be truncated after the first blank line
+73: [20:54:37] Property <ID> will be truncated after the first blank line
+73: [20:54:37] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:54:37] Finished: testSDSupplierStrLax1()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] ERROR: Problems encountered parsing data fields
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:54:37] Finished: testSDSupplierStrLax2()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] ERROR: Problems encountered parsing data fields
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] ERROR: Problems encountered parsing data fields
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Spurious data before the first property will be ignored
+73: [20:54:37] Property <ID> will be truncated after the first blank line
+73: [20:54:37] Property <ID> will be truncated after the first blank line
+73: [20:54:37] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:54:37] Finished: testSDSupplierFromTextStrLax1()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] ERROR: Problems encountered parsing data fields
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:54:37] Finished: testSDSupplierFromTextStrLax2()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testIssue265()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] ERROR: End of data field name not found
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Explicit valence for atom # 0 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Could not sanitize molecule ending on line 16
+73: [20:54:37] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] ERROR: Bond line too short: 'M  END' on line 18
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Finished: testSDErrorHandling()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+70: [20:54:37] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+70: [20:54:37] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+74: [20:54:37] Finished: testSdf()
+74: [20:54:37] -----------------------------------------
+74: 
+74: [20:54:37] 
+74: -----------------------------------------
+73: [20:54:37] Finished: testIssue381()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
 69: Test
 69: 
 69:  BMS-986142_atropBad2.mrv
 69: 
-69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+69: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+73: [20:54:37] Finished: testSetStreamIndices()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testMixIterAndRandom()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: build:
+73: [20:54:37] Finished: testRemoveHs()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testGetItemText()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+74: [20:54:37] Finished: testSmi()
+74: [20:54:37] -----------------------------------------
+74: 
+74: [20:54:37] 
+74: -----------------------------------------
+73: [20:54:37] Finished: testForwardSDSupplier()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testMissingCRSDSupplier()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testIssue3482695()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
 69: Test
 69: 
 69:  JDQ443_3d.mrv
@@ -19403,7 +19648,94 @@
 69: 
 69:  JDQ443_atropBad1.mrv
 69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+69: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+73: [20:54:37] ERROR: Cannot convert 'foo' to unsigned int on line 557
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Finished: testIssue3525673()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testBlankLinesInProps()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testSkipLines()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testGitHub23()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testGitHub88()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testGitHub2285()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+73: [20:54:37] ERROR: Smiles parse error on line 1
+73: [20:54:37] ERROR: Cannot create molecule from : 'c1ccccc'
+73: [20:54:37] SMILES Parse Error: extra open parentheses while parsing: C(C
+73: [20:54:37] SMILES Parse Error: check for mistakes around position 2:
+73: [20:54:37] C(C
+73: [20:54:37] ~^
+73: [20:54:37] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+73: [20:54:37] ERROR: Smiles parse error on line 3
+73: [20:54:37] ERROR: Cannot create molecule from : 'C(C'
+73: [20:54:37] Explicit valence for atom # 1 C, 5, is greater than permitted
+73: [20:54:37] ERROR: Could not sanitize molecule on line 5
+73: [20:54:37] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+73: [20:54:37] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Could not sanitize molecule ending on line 21
+73: [20:54:37] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Could not sanitize molecule ending on line 21
+73: [20:54:37] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Could not sanitize molecule ending on line 21
+73: [20:54:37] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Atom line too short: '   -9.6' on line 28
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Could not sanitize molecule ending on line 21
+73: [20:54:37] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:54:37] ERROR: Atom line too short: '   -9.6' on line 28
+73: [20:54:37] ERROR: moving to the beginning of the next molecule
+73: [20:54:37] Finished: testGitHub2479()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] 
+73: 
+73: ****
+73: Invariant Violation
+73: bad chiral bond
+73: Violation occurred on line 161 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+73: Failed Expression: bnd
+73: ----------
+73: Stacktrace:
+73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  2# 0x0000FFFF8AD261A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  4# 0x0000AAAAACF736A0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  5# 0x0000AAAAACF72514 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  6# 0x0000FFFF8A32229C in /lib/aarch64-linux-gnu/libc.so.6
+73:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+73:  8# 0x0000AAAAACF727F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73: ----------
+73: ****
+73: 
+73: [20:54:37] Finished: testGitHub2881()
+73: [20:54:37] -----------------------------------------
+73: 
+73: [20:54:37] -----------------------------------------
+73: [20:54:37] Finished: testGitHub3517()
+73: [20:54:37] -----------------------------------------
+73: 
 69: Test
 69: 
 69:  RP-6306_atrop1.mrv
@@ -19424,36 +19756,68 @@
 69: 
 69:  RP-6306_atrop5.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+ 63/235 Test  #73: testMolSupplier ........................   Passed    0.33 sec
+70: ----------------------------------
+70: ----------------------------------
+70: [20:54:37] 
+70: 
+70: ****
 69: Test
 69: 
 69:  RP-6306_atropBad1.mrv
 69: 
-69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+69: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+test 75
+        Start  75: testMultithreadedMolSupplier
+
+75: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
+75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+75: Test timeout computed to be: 1500
+70: Pre-condition Violation
+70: rlabel out of range for MDL files
+70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
+70: Failed Expression: rlabel >= 0 && rlabel < 100
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+70:  3# 0x0000AAAAE2ECF2FC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  4# 0x0000AAAAE2F34BA4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  5# 0x0000AAAAE2EA5CB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  6# 0x0000FFFFBB25229C in /lib/aarch64-linux-gnu/libc.so.6
+70:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+70:  8# 0x0000AAAAE2EA5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+70: [20:54:37] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 69: Test
 69: 
 69:  RP-6306_atropBad2.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-74: [00:53:07] 
-74: -----------------------------------------
-74: [00:53:07] Finished: testDetermineFormat()
-74: [00:53:07] -----------------------------------------
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+74: [20:54:37] Finished: testMae()
+74: [20:54:37] -----------------------------------------
 74: 
-74: [00:53:07] 
+74: [20:54:37] 
 74: -----------------------------------------
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-73: [00:53:07] Finished: testMolSup()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testRandMolSup()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
+74: [20:54:37] Finished: testTdt()
+74: [20:54:37] -----------------------------------------
+74: 
+ 64/235 Test  #74: testGeneralFileReader ..................   Passed    0.20 sec
+test 76
+        Start  76: testMolWriter
+
+76: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
+76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+76: Test timeout computed to be: 1500
+75: [20:54:37] 
+75: -----------------------------------------
 69: Test
 69: 
 69:  RP-6306_3d.mrv
@@ -19478,38 +19842,23 @@
 69: 
 69:  Sotorasib_atrop5.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:37] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 69: Test
 69: 
 69:  Sotorasib_atropBad1.mrv
 69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+69: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
 69: Test
 69: 
 69:  Sotorasib_atropBad2.mrv
 69: 
-69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-73: [00:53:07] Finished: testSmilesSup()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ------------------------------------------------------
-73: [00:53:07] SMILES Parse Error: syntax error while parsing: fail
-73: [00:53:07] SMILES Parse Error: check for mistakes around position 1:
-73: [00:53:07] fail
-73: [00:53:07] ^
-73: [00:53:07] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-73: [00:53:07] ERROR: Smiles parse error on line 3
-73: [00:53:07] ERROR: Cannot create molecule from : 'fail'
-73: [00:53:07] ------------------------------------------------------
-73: [00:53:07] ------------------------------------------------------
-73: [00:53:07] >>> This may result in an infinite loop.  It should finish almost immediately:
-73: [00:53:07] <<< done.
-73: [00:53:07] Finished: testSmilesSupFromText()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
+69: [20:54:37] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+68: ..............[20:54:37] SMILES Parse Error: syntax error while parsing: invalidsmiles
+68: [20:54:37] SMILES Parse Error: check for mistakes around position 1:
+68: [20:54:37] invalidsmiles
+68: [20:54:37] ^
+68: [20:54:37] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
 69: Test
 69: 
 69:  Sotorasib_3d.mrv
@@ -19530,41 +19879,9 @@
 69: 
 69:  ZM374979_atropBad1.mrv
 69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-73: [00:53:07] Finished: testSmilesWriter()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testSDWriter()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testSDSupplierEnding()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testSuppliersEmptyFile()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testCisTrans()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testStereoRound()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [00:53:07] Finished: testIssue226()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testTDTSupplier1()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
+69: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+70: [20:54:37] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+70: [20:54:37] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
 69: Test
 69: 
 69:  mrtx1719_3d.mrv
@@ -19585,134 +19902,11 @@
 69: 
 69:  mrtx1719_atropBad1.mrv
 69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-73: [00:53:07] Finished: testTDTSupplier2()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testTDTSupplier3()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testSDSupplierFromText()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ERROR: Problems encountered parsing data fields
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] ERROR: Problems encountered parsing data fields
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Spurious data before the first property will be ignored
-73: [00:53:07] Property <ID> will be truncated after the first blank line
-73: [00:53:07] Property <ID> will be truncated after the first blank line
-73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [00:53:07] Finished: testSDSupplierStrLax1()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ERROR: Problems encountered parsing data fields
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [00:53:07] Finished: testSDSupplierStrLax2()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ERROR: Problems encountered parsing data fields
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] ERROR: Problems encountered parsing data fields
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Spurious data before the first property will be ignored
-73: [00:53:07] Property <ID> will be truncated after the first blank line
-73: [00:53:07] Property <ID> will be truncated after the first blank line
-73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [00:53:07] Finished: testSDSupplierFromTextStrLax1()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ERROR: Problems encountered parsing data fields
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [00:53:07] Finished: testSDSupplierFromTextStrLax2()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testIssue265()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ERROR: End of data field name not found
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Explicit valence for atom # 0 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Could not sanitize molecule ending on line 16
-73: [00:53:07] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] ERROR: Bond line too short: 'M  END' on line 18
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Finished: testSDErrorHandling()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-74: [00:53:07] Finished: testSdf()
-74: [00:53:07] -----------------------------------------
-74: 
-74: [00:53:07] 
-74: -----------------------------------------
-73: [00:53:07] Finished: testIssue381()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testSetStreamIndices()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testMixIterAndRandom()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: build:
-73: [00:53:07] Finished: testRemoveHs()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testGetItemText()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testForwardSDSupplier()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testMissingCRSDSupplier()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testIssue3482695()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] ERROR: Cannot convert 'foo' to unsigned int on line 557
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Finished: testIssue3525673()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testBlankLinesInProps()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testSkipLines()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testGitHub23()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testGitHub88()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
+69: [20:54:37] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+70: [20:54:38] Empty atom list: 'M  ALS   1  0 F' on line 8.
+70: de_DE.UTF-8
+70: [20:54:38] -------------------------------------
+70: [20:54:38]     Test multithreading Locale Switching
 69: Test
 69: 
 69:  FalseAtropisomer.mrv
@@ -19769,85 +19963,10 @@
 69: 
 69:  BMS-986142_atrop5.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-73: [00:53:07] Finished: testGitHub2285()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-73: [00:53:07] ERROR: Smiles parse error on line 1
-73: [00:53:07] ERROR: Cannot create molecule from : 'c1ccccc'
-73: [00:53:07] SMILES Parse Error: extra open parentheses while parsing: C(C
-73: [00:53:07] SMILES Parse Error: check for mistakes around position 2:
-73: [00:53:07] C(C
-73: [00:53:07] ~^
-73: [00:53:07] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-73: [00:53:07] ERROR: Smiles parse error on line 3
-73: [00:53:07] ERROR: Cannot create molecule from : 'C(C'
-73: [00:53:07] Explicit valence for atom # 1 C, 5, is greater than permitted
-73: [00:53:07] ERROR: Could not sanitize molecule on line 5
-73: [00:53:07] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
-73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
-73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
-73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Atom line too short: '   -9.6' on line 28
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
-73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [00:53:07] ERROR: Atom line too short: '   -9.6' on line 28
-73: [00:53:07] ERROR: moving to the beginning of the next molecule
-73: [00:53:07] Finished: testGitHub2479()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] 
-73: 
-73: ****
-73: Invariant Violation
-73: bad chiral bond
-73: Violation occurred on line 161 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-73: Failed Expression: bnd
-73: ----------
-73: Stacktrace:
-73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  2# 0x0000FFFF997A61A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  4# 0x0000AAAAAEDD36A0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  5# 0x0000AAAAAEDD2514 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  6# 0x0000FFFF98DA229C in /lib/aarch64-linux-gnu/libc.so.6
-73:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-73:  8# 0x0000AAAAAEDD27F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73: ----------
-73: ****
-73: 
-73: [00:53:07] Finished: testGitHub2881()
-73: [00:53:07] -----------------------------------------
-73: 
-73: [00:53:07] -----------------------------------------
-73: [00:53:07] Finished: testGitHub3517()
-73: [00:53:07] -----------------------------------------
-73: 
-74: [00:53:07] Finished: testSmi()
-74: [00:53:07] -----------------------------------------
-74: 
-74: [00:53:07] 
-74: -----------------------------------------
- 63/235 Test  #73: testMolSupplier ........................   Passed    0.19 sec
-test 75
-        Start  75: testMultithreadedMolSupplier
-
-75: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
-75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-75: Test timeout computed to be: 1500
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+70: [20:54:38]     Test multithreading (Done)
+70: [20:54:38] -------------------------------------
 69: Test
 69: 
 69:  BMS-986142_atrop6.mrv
@@ -19860,15 +19979,31 @@
 69: 
 69:  BMS-986142_atrop8.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 69: Test
 69: 
 69:  BMS-986142_atropBad2.mrv
 69: 
-69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-75: [00:53:07] 
-75: -----------------------------------------
+69: [20:54:38] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+70: ***************************************
+70: ***************************************
+70: [20:54:38] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:54:38] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:54:38] bond with order 0 found on line 7. This is not part of the MDL specification.
+12: ..................
+12: ----------------------------------------------------------------------
+12: Ran 18 tests in 2.719s
+12: 
+12: OK
+68: .....
+68: ----------------------------------------------------------------------
+68: Ran 19 tests in 0.829s
+68: 
+68: OK
+70: [20:54:38] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+70: [20:54:38] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+70: [20:54:38] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 69: Test
 69: 
 69:  JDQ443_3d.mrv
@@ -19889,7 +20024,11 @@
 69: 
 69:  JDQ443_atropBad1.mrv
 69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+69: [20:54:38] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+70: generating smiles
+70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+70: converting back
+70: check isomorphism
 69: Test
 69: 
 69:  RP-6306_atrop1.mrv
@@ -19910,35 +20049,34 @@
 69: 
 69:  RP-6306_atrop5.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
 69: Test
 69: 
 69:  RP-6306_atropBad1.mrv
 69: 
-69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-74: [00:53:07] Finished: testMae()
-74: [00:53:07] -----------------------------------------
-74: 
-74: [00:53:07] 
-74: -----------------------------------------
-74: [00:53:07] Finished: testTdt()
-74: [00:53:07] -----------------------------------------
-74: 
+69: [20:54:38] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
 69: Test
 69: 
 69:  RP-6306_atropBad2.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
- 64/235 Test  #74: testGeneralFileReader ..................   Passed    0.16 sec
-test 76
-        Start  76: testMolWriter
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:54:38] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+ 65/235 Test  #12: pyBV ...................................   Passed    3.08 sec
+test 77
+        Start  77: testTplParser
 
-76: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
-76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-76: Test timeout computed to be: 1500
+77: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
+77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+77: Test timeout computed to be: 1500
+ 66/235 Test  #77: testTplParser ..........................   Passed    0.04 sec
+test 78
+        Start  78: testMol2ToMol
+
+78: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
+78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+78: Test timeout computed to be: 1500
 69: Test
 69: 
 69:  RP-6306_3d.mrv
@@ -19963,235 +20101,19 @@
 69: 
 69:  Sotorasib_atrop5.mrv
 69: 
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:54:38] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 69: Test
 69: 
 69:  Sotorasib_atropBad1.mrv
 69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+69: [20:54:38] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
 69: Test
 69: 
 69:  Sotorasib_atropBad2.mrv
 69: 
-69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-69: Test
-69: 
-69:  Sotorasib_3d.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atropBad1.mrv
-69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-69: Test
-69: 
-69:  mrtx1719_3d.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atropBad1.mrv
-69: 
-69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-68: ..............[00:53:07] SMILES Parse Error: syntax error while parsing: invalidsmiles
-68: [00:53:07] SMILES Parse Error: check for mistakes around position 1:
-68: [00:53:07] invalidsmiles
-68: [00:53:07] ^
-68: [00:53:07] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
-69: Test
-69: 
-69:  AlexRxn.mrv
-69: 
-69: Test
-69: 
-69:  BadReactionSign.mrv
-69: 
-69: Test
-69: 
-69:  bondArray_node.mrv
-69: 
-69: Test
-69: 
-69:  marvin03.mrv
-69: 
-69: Test
-69: 
-69:  marvin04.mrv
-69: 
-69: Test
-69: 
-69:  marvin08.mrv
-69: 
-69: Test
-69: 
-69:  marvin09.mrv
-69: 
-69: Test
-69: 
-69:  marvin11.mrv
-69: 
-69: Test
-69: 
-69:  marvin05.mrv
-69: 
-69: Test
-69: 
-69:  EmptyRxn.mrv
-69: 
-69: [00:53:07] initialization failed
-70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:07]  deprecated group abbreviation ignored on line 24
-69: Test
-69: 
-69:  RxnNoCoords.mrv
-69: 
-69: Test
-69: 
-69:  mrvValenceZero.mrv
-69: 
-69: Test
-69: 
-69:  condition_coordinates_mpoint.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  aspirineSynthesisWithAttributes.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTest
-69: 
-69: Test
-69: 
-69:  NewChiralTest
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTest2
-69: 
-69: Test
-69: 
-69:  NewChiralTest2
-69: 
-69: Test
-69: 
-69:  NewChiralTest2AllChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTest2AllChiral
-69: 
-69: Test
-69: 
-69:  Vendor839
-69: 
-69: Test
-69: 
-69:  DoubleBondChain
-69: 
-69: Test
-69: 
-69:  Na_Mg_Al_OH
-69: 
-69: Test
-69: 
-69:  Pb
-69: 
-69: Test
-69: 
-69:  O_Mg_Si
-69: 
-69: Test
-69: 
-69:  SquiggleBond
-69: 
-69: Test
-69: 
-69:  BigMacrocycle
-69: 
-69: Test
-69: 
-69:  Smiles1
-69: 
- 65/235 Test  #69: testMrvToMol ...........................   Passed    0.78 sec
-test 77
-        Start  77: testTplParser
-
-77: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
-77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-77: Test timeout computed to be: 1500
-70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-70: [00:53:07] 
-70: 
-70: ****
-70: Post-condition Violation
-70: Element 'Mv' not found
-70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-70: Failed Expression: anum > -1
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  3# 0x0000FFFF9D2F7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  4# 0x0000FFFF9D305BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  5# 0x0000FFFF9D306AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  9# 0x0000AAAAB9DFF83C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 10# 0x0000AAAAB9E74B44 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 11# 0x0000AAAAB9DE5CB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 12# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
-70: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-70: 14# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-76: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+69: [20:54:38] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+76: [20:54:38] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 76: 0.40201265 0.40201265
 76: -0.13299436 -0.13299436
 76: 1.00000017 1.00000017
@@ -20213,31 +20135,51 @@
 76: 3.0077234 3.0077234
 76: 0.37399312 0.37399312
 76: -0.07713336 -0.07713336
-76: [00:53:07] bond with order 0 found on line 11. This is not part of the MDL specification.
-76: [00:53:07] bond with order 0 found on line 16. This is not part of the MDL specification.
- 66/235 Test  #77: testTplParser ..........................   Passed    0.04 sec
-test 78
-        Start  78: testMol2ToMol
-
-78: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
-78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-78: Test timeout computed to be: 1500
- 67/235 Test  #76: testMolWriter ..........................   Passed    0.15 sec
+76: [20:54:38] bond with order 0 found on line 11. This is not part of the MDL specification.
+76: [20:54:38] bond with order 0 found on line 16. This is not part of the MDL specification.
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+ 67/235 Test  #78: testMol2ToMol ..........................   Passed    0.05 sec
 test 79
         Start  79: testSequence
 
 79: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSequence
 79: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 79: Test timeout computed to be: 1500
-70: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
- 68/235 Test  #78: testMol2ToMol ..........................   Passed    0.04 sec
+ 68/235 Test  #68: pyDepictor .............................   Passed    1.62 sec
+ 69/235 Test  #76: testMolWriter ..........................   Passed    0.47 sec
 test 80
         Start  80: testExtendedStereoParsing
 
 80: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
 80: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 80: Test timeout computed to be: 1500
+test 81
+        Start  81: fileParsersCatchTest
+
+81: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+81: Test timeout computed to be: 1500
+69: Test
+69: 
+69:  Sotorasib_3d.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atropBad1.mrv
+69: 
+69: [20:54:38] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
 79:   Sequence: GREG
 79:   HELM: PEPTIDE1{G.R.E.G}$$$$
 79:   Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O
@@ -21222,80 +21164,61 @@
 79: CONECT   27   28   28   29
 79: END
 79: 
-68: .....
-68: ----------------------------------------------------------------------
-68: Ran 19 tests in 0.510s
-68: 
-68: OK
- 69/235 Test  #79: testSequence ...........................   Passed    0.08 sec
-test 81
-        Start  81: fileParsersCatchTest
-
-81: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-81: Test timeout computed to be: 1500
-70: ----------------------------------
-70: ----------------------------------
-70: [00:53:07] 
-70: 
-70: ****
-70: Pre-condition Violation
-70: rlabel out of range for MDL files
-70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
-70: Failed Expression: rlabel >= 0 && rlabel < 100
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-70:  3# 0x0000AAAAB9E0F2FC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  4# 0x0000AAAAB9E74BA4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  5# 0x0000AAAAB9DE5CB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  6# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
-70:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-70:  8# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-70: [00:53:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
- 70/235 Test  #80: testExtendedStereoParsing ..............   Passed    0.07 sec
+ 70/235 Test  #79: testSequence ...........................   Passed    0.04 sec
 test 82
         Start  82: testPropertyLists
 
 82: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
 82: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 82: Test timeout computed to be: 1500
-82: Randomness seeded to: 2768470353
-82: ===============================================================================
-82: All tests passed (95 assertions in 4 test cases)
-82: 
- 71/235 Test  #82: testPropertyLists ......................   Passed    0.03 sec
+69: Test
+69: 
+69:  mrtx1719_3d.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atropBad1.mrv
+69: 
+69: [20:54:38] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+ 71/235 Test  #80: testExtendedStereoParsing ..............   Passed    0.06 sec
 test 83
         Start  83: XYZFileParserCatchTest
 
 83: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
 83: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 83: Test timeout computed to be: 1500
-81: Randomness seeded to: 1714965867
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
-81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-81: [00:53:07] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] SGroup 3 referenced on line 40 not found.
-81: [00:53:07] 
+81: Randomness seeded to: 3156795741
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+81: [20:54:38] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+81: [20:54:38] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
+81: [20:54:38] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+81: [20:54:38] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+81: [20:54:38] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] SGroup 3 referenced on line 40 not found.
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21308,24 +21231,24 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000FFFF9DE4EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x0000FFFFA7C0EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  7# 0x0000AAAAD2F19D7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  7# 0x0000AAAAB4E69D7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 16# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] SGroup 3 referenced on line 40 not found.
-81: [00:53:07] 
+81: [20:54:38] SGroup 3 referenced on line 40 not found.
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21338,29 +21261,29 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000FFFF9DE4EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x0000FFFFA7C0EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  7# 0x0000AAAAD2F19DFC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  7# 0x0000AAAAB4E69DFC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 16# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] no bonds
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] SGroup line too short: 'M  SBV   1   6' on line 42
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
-81: [00:53:07] SGroup 2 is invalid and will be ignored
-81: [00:53:07] 
+81: [20:54:38] no bonds
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] SGroup line too short: 'M  SBV   1   6' on line 42
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
+81: [20:54:38] SGroup 2 is invalid and will be ignored
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21374,23 +21297,23 @@
 81:  2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C0EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000AAAAD2F1A7A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  8# 0x0000AAAAB4E6A7A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21404,24 +21327,24 @@
 81:  2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C0EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000AAAAD2F1A824 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  8# 0x0000AAAAB4E6A824 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bookmark not found
-81: [00:53:07] 
+81: [20:54:38] bookmark not found
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21435,25 +21358,25 @@
 81:  2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE4EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C0EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000AAAAD2F1A824 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  8# 0x0000AAAAB4E6A824 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bond is not part of the SubstanceGroup
-81: [00:53:07] SGroup 2 is invalid and will be ignored
-81: [00:53:07] 
+81: [20:54:38] bond is not part of the SubstanceGroup
+81: [20:54:38] SGroup 2 is invalid and will be ignored
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21467,23 +21390,23 @@
 81:  2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C0EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000AAAAD2F1AB14 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  8# 0x0000AAAAB4E6AB14 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21497,27 +21420,27 @@
 81:  2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C0EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000AAAAD2F1AB94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  8# 0x0000AAAAB4E6AB94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bookmark not found
-81: [00:53:07] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
-81: [00:53:07] SGroup 2 is invalid and will be ignored
-81: [00:53:07] WARNING: final character of V3000 array is not ')'
-81: [00:53:07] 
+81: [20:54:38] bookmark not found
+81: [20:54:38] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
+81: [20:54:38] SGroup 2 is invalid and will be ignored
+81: [20:54:38] WARNING: final character of V3000 array is not ')'
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21535,21 +21458,21 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F18798 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E68798 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] WARNING: final character of V3000 array is not ')'
-81: [00:53:07] 
+81: [20:54:38] WARNING: final character of V3000 array is not ')'
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21567,23 +21490,23 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F18814 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E68814 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bookmark not found
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] WARNING: final character of V3000 array is not ')'
-81: [00:53:07] 
+81: [20:54:38] bookmark not found
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] WARNING: final character of V3000 array is not ')'
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21601,21 +21524,21 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F18AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E68AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] WARNING: final character of V3000 array is not ')'
-81: [00:53:07] 
+81: [20:54:38] WARNING: final character of V3000 array is not ')'
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21633,22 +21556,22 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F18B64 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E68B64 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bookmark not found
-81: [00:53:07] SGroup 1 is invalid and will be ignored
-81: [00:53:07] 
+81: [20:54:38] bookmark not found
+81: [20:54:38] SGroup 1 is invalid and will be ignored
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21666,20 +21589,20 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F18E38 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E68E38 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21697,22 +21620,22 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F18EB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E68EB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bookmark not found
-81: [00:53:07] SGroup 2 is invalid and will be ignored
-81: [00:53:07] 
+81: [20:54:38] bookmark not found
+81: [20:54:38] SGroup 2 is invalid and will be ignored
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21730,20 +21653,20 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F19188 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E69188 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21761,37 +21684,41 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2F19204 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E69204 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] bookmark not found
-81: [00:53:07] SGroup 2 is invalid and will be ignored
-81: [00:53:07] Explicit valence for atom # 2 O, 3, is greater than permitted
-81: [00:53:07] Explicit valence for atom # 1 O, 3, is greater than permitted
-81: [00:53:07] Explicit valence for atom # 1 C, 5, is greater than permitted
- 72/235 Test  #68: pyDepictor .............................   Passed    1.01 sec
-81: [00:53:07] sanitize [00:53:07] UNK: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [20:54:38] bookmark not found
+81: [20:54:38] SGroup 2 is invalid and will be ignored
+81: [20:54:38] Explicit valence for atom # 2 O, 3, is greater than permitted
+81: [20:54:38] Explicit valence for atom # 1 O, 3, is greater than permitted
+81: [20:54:38] Explicit valence for atom # 1 C, 5, is greater than permitted
+82: Randomness seeded to: 4241742004
+82: ===============================================================================
+82: All tests passed (95 assertions in 4 test cases)
+82: 
+ 72/235 Test  #82: testPropertyLists ......................   Passed    0.07 sec
 test 84
         Start  84: cdxmlParserCatchTest
 
 84: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
 84: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 84: Test timeout computed to be: 1500
-81: [00:53:07] skipping block at line 7: 'BEGIN ATOM'
+81: [20:54:38] sanitize [20:54:38] UNK: [20:54:38] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [20:54:38] skipping block at line 7: 'BEGIN ATOM'
 81: ATOM      1 CHLO CHL     0       0.000   0.000   0.000  1.00  0.00          CL  
 81: END
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21803,21 +21730,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000AAAAD2F0B1A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  3# 0x0000AAAAB4E9EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000AAAAB4E5B1A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21829,21 +21756,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000AAAAD2F0B314 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  3# 0x0000AAAAB4E9EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000AAAAB4E5B314 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21855,21 +21782,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000AAAAD2F0B648 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  3# 0x0000AAAAB4E9EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000AAAAB4E5B648 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21881,21 +21808,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000AAAAD2F0B8E4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  3# 0x0000AAAAB4E9EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000AAAAB4E5B8E4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -21907,29 +21834,29 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000AAAAD2F0BADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  3# 0x0000AAAAB4E9EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000AAAAB4E5BADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 21
-81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 20
-81: [00:53:07] BEGIN SGROUP line not found on line 14
-81: [00:53:07]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
-81: [00:53:07] END SGROUP line not found on line 14
-81: [00:53:07] END SGROUP line not found on line 14
-81: [00:53:07] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
-81: [00:53:07] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
-81: [00:53:07] 
+81: [20:54:38] Found a SCD/SED line with missing/empty SDT specification at line 21
+81: [20:54:38] Found a SCD/SED line with missing/empty SDT specification at line 20
+81: [20:54:38] BEGIN SGROUP line not found on line 14
+81: [20:54:38]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
+81: [20:54:38] END SGROUP line not found on line 14
+81: [20:54:38] END SGROUP line not found on line 14
+81: [20:54:38] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
+81: [20:54:38] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
+81: [20:54:38] 
 81: 
 81: ****
 81: Range Error
@@ -21944,42 +21871,38 @@
 81:  3# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  4# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  6# 0x0000AAAAD2F4EB34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F10B30 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  6# 0x0000AAAAB4E9EB34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4E60B30 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 16# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
-81: [00:53:07] Multiple ATTCHPT values for atom 2 on line 9
-81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 12
-81: [00:53:07] SMARTS Parse Error: syntax error while parsing: [#6;R
-81: [00:53:07] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
-81: [00:53:07] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
-81: [00:53:07] Skipping empty SMARTS value for SMARTSQ.
-81: [00:53:07] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
-81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 12
-81: [00:53:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-83: Randomness seeded to: 1470123064
-83: ===============================================================================
-83: All tests passed (100 assertions in 2 test cases)
-83: 
-81: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [00:53:07] WARNING: Skipping property bar because the value includes an illegal blank line
-81: [00:53:07] WARNING: Skipping property baz because the value includes an illegal blank line
-81: [00:53:07] WARNING: Skipping property bletch
+81: [20:54:38] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
+81: [20:54:38] Multiple ATTCHPT values for atom 2 on line 9
+81: [20:54:38] Found a SCD/SED line with missing/empty SDT specification at line 12
+81: [20:54:38] SMARTS Parse Error: syntax error while parsing: [#6;R
+81: [20:54:38] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
+81: [20:54:38] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
+81: [20:54:38] Skipping empty SMARTS value for SMARTSQ.
+81: [20:54:38] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
+81: [20:54:38] Found a SCD/SED line with missing/empty SDT specification at line 12
+81: [20:54:38] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+81: [20:54:38] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [20:54:38] WARNING: Skipping property bar because the value includes an illegal blank line
+81: [20:54:38] WARNING: Skipping property baz because the value includes an illegal blank line
+81: [20:54:38] WARNING: Skipping property bletch
 81: nope because the name includes a newline
-81: [00:53:07] WARNING: Skipping property bletch
+81: [20:54:38] WARNING: Skipping property bletch
 81: nope2 because the name includes a newline
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -21991,26 +21914,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000FFFF9DE48230 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE48E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x0000FFFFA7BF7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x0000FFFFA7C08230 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C08E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2EE4FB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E34FB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -22022,26 +21945,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000FFFF9DE48230 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE48E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x0000FFFFA7BF7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x0000FFFFA7C08230 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C08E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2EE48D8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E348D8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -22053,26 +21976,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000FFFF9DE45BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE46AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x0000FFFFA7BF7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x0000FFFFA7C05BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C06AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2EE4F70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E34F70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -22084,28 +22007,38 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000FFFF9DE45BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x0000FFFF9DE46AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x0000FFFFA7BF7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x0000FFFFA7C05BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x0000FFFFA7C06AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000AAAAD2EE4CA8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  9# 0x0000AAAAB4E34CA8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07]  atom 3 has a negative isotope value. line:  15
- 73/235 Test  #83: XYZFileParserCatchTest .................   Passed    0.06 sec
-81: [00:53:07] 
+81: [20:54:38]  atom 3 has a negative isotope value. line:  15
+83: Randomness seeded to: 227057831
+83: ===============================================================================
+83: All tests passed (100 assertions in 2 test cases)
+83: 
+ 73/235 Test  #83: XYZFileParserCatchTest .................   Passed    0.08 sec
+test 85
+        Start  85: molfileStereoCatchTest
+
+85: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
+85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+85: Test timeout computed to be: 1500
+81: [20:54:38] 
 81: 
 81: ****
 81: Invariant Violation
@@ -22116,23 +22049,23 @@
 81: Stacktrace:
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-81:  2# 0x0000FFFF9DF05C7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  2# 0x0000FFFFA7CC5C7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F21EA0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  4# 0x0000AAAAB4E9EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4E71EA0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 14# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [00:53:07] 
+81: [20:54:38] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -22145,56 +22078,73 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000AAAAD2F221C4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
+81:  4# 0x0000AAAAB4E721C4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000AAAAB4EE0B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000AAAAB4EE1540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000AAAAB4EE1974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000AAAAB4EB4E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000AAAAB4EB5364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000AAAAB4E2C1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000FFFFA72D229C in /lib/aarch64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000AAAAB4E2C2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-test 85
-        Start  85: molfileStereoCatchTest
-
-85: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
-85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-85: Test timeout computed to be: 1500
-84: Randomness seeded to: 1391323868
-84: [00:53:07] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: [00:53:07] Explicit valence for atom # 3 N, 4, is greater than permitted
-84: [00:53:07] CDXMLParser: failed sanitizing skipping fragment 32
-84: [00:53:07] Bad bond in CDXML skipping fragment 58...
-84: [00:53:07] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: [00:53:07] Bad bond in CDXML skipping fragment 58...
-81: [00:53:07] ERROR: molecules without atoms cannot be exported to Maestro files.
-81: [00:53:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-81: [00:53:07] ERROR: the mol cannot be kekulized, and will not be written to the output file.
-81: [00:53:07] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
-84: [00:53:07] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
-81: [00:53:07] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-85: Randomness seeded to: 913775441
-85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+29: All 191 tests passed
+69: Test
+69: 
+69:  AlexRxn.mrv
+69: 
+69: Test
+69: 
+69:  BadReactionSign.mrv
+69: 
+69: Test
+69: 
+69:  bondArray_node.mrv
+69: 
+69: Test
+69: 
+69:  marvin03.mrv
+69: 
+69: Test
+69: 
+69:  marvin04.mrv
+69: 
+69: Test
+69: 
+69:  marvin08.mrv
+69: 
+69: Test
+69: 
+69:  marvin09.mrv
+69: 
+69: Test
+69: 
+69:  marvin11.mrv
+69: 
+69: Test
+69: 
+69:  marvin05.mrv
+69: 
+69: Test
+69: 
+69:  EmptyRxn.mrv
+69: 
+69: [20:54:38] initialization failed
+84: Randomness seeded to: 127477620
+84: [20:54:38] Invalid or missing fragment id from CDXML fragment, assigning new one...
+84: [20:54:38] Explicit valence for atom # 3 N, 4, is greater than permitted
+84: [20:54:38] CDXMLParser: failed sanitizing skipping fragment 32
+84: [20:54:38] Bad bond in CDXML skipping fragment 58...
+84: [20:54:38] Invalid or missing fragment id from CDXML fragment, assigning new one...
+84: [20:54:38] Bad bond in CDXML skipping fragment 58...
+85: Randomness seeded to: 3341365426
+85: [20:54:38] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [20:54:38] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [20:54:38] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [20:54:38] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
 85: ===============================================================================
 85: All tests passed (142 assertions in 6 test cases)
 85: 
@@ -22205,70 +22155,173 @@
 86: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
 86: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 86: Test timeout computed to be: 1500
-84: [00:53:07] Incomplete atom labelling, cannot make bond
-84: [00:53:07] Incomplete atom labelling, cannot make bond
-84: [00:53:07] Incomplete atom labelling, cannot make bond
-84: [00:53:07] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-84: [00:53:07] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-84: [00:53:07] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
-84: [00:53:07] Failed to parse XML fragment 5 node: b attribute: Order: 5
-84: [00:53:07] Invalid or missing fragment id from CDXML fragment, assigning new one...
-86: Randomness seeded to: 57821718
+81: [20:54:38] ERROR: molecules without atoms cannot be exported to Maestro files.
+81: [20:54:38] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+81: [20:54:38] ERROR: the mol cannot be kekulized, and will not be written to the output file.
+81: [20:54:38] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
+81: [20:54:38] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[20:54:38] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [20:54:38] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [20:54:38] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [20:54:38] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] WARNING: not removing hydrogen atom without neighbors
+84: [20:54:38] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
+69: Test
+69: 
+69:  RxnNoCoords.mrv
+69: 
+69: Test
+69: 
+69:  mrvValenceZero.mrv
+69: 
+69: Test
+69: 
+69:  condition_coordinates_mpoint.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  aspirineSynthesisWithAttributes.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTest
+69: 
+69: Test
+69: 
+69:  NewChiralTest
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTest2
+69: 
+69: Test
+69: 
+69:  NewChiralTest2
+69: 
+69: Test
+69: 
+69:  NewChiralTest2AllChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTest2AllChiral
+69: 
+69: Test
+69: 
+69:  Vendor839
+69: 
+69: Test
+69: 
+69:  DoubleBondChain
+69: 
+69: Test
+69: 
+69:  Na_Mg_Al_OH
+69: 
+69: Test
+69: 
+69:  Pb
+69: 
+69: Test
+69: 
+69:  O_Mg_Si
+69: 
+69: Test
+69: 
+69:  SquiggleBond
+69: 
+69: Test
+69: 
+69:  BigMacrocycle
+69: 
+69: Test
+69: 
+69:  Smiles1
+69: 
+86: Randomness seeded to: 256375257
 86: ===============================================================================
 86: All tests passed (8 assertions in 1 test case)
 86: 
-84: ===============================================================================
-84: All tests passed (263 assertions in 7 test cases)
-84: 
- 75/235 Test  #84: cdxmlParserCatchTest ...................   Passed    0.12 sec
+ 75/235 Test  #69: testMrvToMol ...........................   Passed    1.75 sec
+ 76/235 Test  #86: connectTheDotsTest .....................   Passed    0.06 sec
 test 87
         Start  87: v2MolSuppliers
 
 87: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers
 87: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 87: Test timeout computed to be: 1500
- 76/235 Test  #86: connectTheDotsTest .....................   Passed    0.05 sec
 test 88
         Start  88: v2FileParsersCatchTest
 
 88: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest
 88: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 88: Test timeout computed to be: 1500
-41: [00:53:07] done: 500000
-41: [00:53:07] Done
-87: Randomness seeded to: 2090271150
+84: [20:54:38] Incomplete atom labelling, cannot make bond
+84: [20:54:38] Incomplete atom labelling, cannot make bond
+84: [20:54:38] Incomplete atom labelling, cannot make bond
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
+87: Randomness seeded to: 1832218973
 87: ===============================================================================
 87: All tests passed (12 assertions in 5 test cases)
 87: 
- 77/235 Test  #87: v2MolSuppliers .........................   Passed    0.03 sec
+84: [20:54:38] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+84: [20:54:38] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+84: [20:54:38] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
+84: [20:54:38] Failed to parse XML fragment 5 node: b attribute: Order: 5
+84: [20:54:38] Invalid or missing fragment id from CDXML fragment, assigning new one...
+ 77/235 Test  #87: v2MolSuppliers .........................   Passed    0.07 sec
 test 89
         Start  89: multithreadedSupplierCatchTest
 
 89: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest
 89: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 89: Test timeout computed to be: 1500
-70: [00:53:07] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-70: [00:53:07] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-88: Randomness seeded to: 1783900150
+84: ===============================================================================
+84: All tests passed (263 assertions in 7 test cases)
+84: 
+88: Randomness seeded to: 1562659369
 88: ===============================================================================
 88: All tests passed (6 assertions in 1 test case)
 88: 
-41: [00:53:07] Testing hanoi with a functor.
- 78/235 Test  #88: v2FileParsersCatchTest .................   Passed    0.04 sec
+ 78/235 Test  #84: cdxmlParserCatchTest ...................   Passed    0.24 sec
+ 79/235 Test  #88: v2FileParsersCatchTest .................   Passed    0.08 sec
 test 90
         Start  90: testSubstructMatch
 
 90: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
 90: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
 90: Test timeout computed to be: 1500
-41: [00:53:07] Done
-41: [00:53:07] Testing basic partition refinement.
-41: [00:53:07] Done
-41: [00:53:07] Testing partition refinement with neighbors.
-41: [00:53:07] Done
-41: [00:53:07] testing canonicalization via tie breaking.
-41: [00:53:07] Done
-41: [00:53:07] testing canonicalization using the wrapper.
+test 91
+        Start  91: substructTestCatch
+
+91: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
+91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
+91: Test timeout computed to be: 1500
 90:  ----------------- Test 1
 90: Done
 90: 
@@ -22293,43 +22346,15 @@
 90:  ----------------- Testing serial numbers on recursive queries
 90: Done
 90: 
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test multithreading
+90: [20:54:38] -------------------------------------
+90: [20:54:38]     Test multithreading
 90: reading molecules
-70: [00:53:07] Empty atom list: 'M  ALS   1  0 F' on line 8.
-70: de_DE.UTF-8
-70: [00:53:07] -------------------------------------
-70: [00:53:07]     Test multithreading Locale Switching
-41: [00:53:07] Done
-41: [00:53:07] testing some specific ordering problems
-41: [00:53:07] Finished
-41: [00:53:07] testing chiral invariants.
-41: [00:53:07] Finished
-41: [00:53:07] testing unique ranks in w.r.t. renumbering.
 90:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
 90: processing
 90:  launch :0
 90:  launch :1
 90:  launch :2
 90:  launch :3
-70: [00:53:07]     Test multithreading (Done)
-70: [00:53:07] -------------------------------------
-70: ***************************************
-70: ***************************************
-70: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [00:53:07] bond with order 0 found on line 7. This is not part of the MDL specification.
-70: [00:53:07] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-70: [00:53:07] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-70: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: generating smiles
-70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-70: converting back
-41: [00:53:07] Finished
-41: [00:53:07] testing mol fragments.
-41: [00:53:07] Finished
-41: [00:53:07] testing protein round-tripping.
-70: check isomorphism
 90:  done
 90:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
 90: processing2
@@ -22346,34 +22371,45 @@
 90:  launch3 :2
 90:  launch3 :3
 90:  done
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test GitHub issue 15
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test GitHub issue 409
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test chiral matching
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test dative-bond matching
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test cis/trans matching
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Test cis/trans matching part 2
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
-90: [00:53:07]   done
-90: [00:53:07] -------------------------------------
-90: [00:53:07]     Testing matching E/Z against Cis/Trans stereo bonds
-90: [00:53:07] 
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test GitHub issue 15
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test GitHub issue 409
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test chiral matching
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test dative-bond matching
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test cis/trans matching
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Test cis/trans matching part 2
+90: [20:54:39]   done
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
+90: [20:54:39]   done
+91: Randomness seeded to: 3677330612
+91: ===============================================================================
+91: All tests passed (242 assertions in 12 test cases)
+91: 
+ 80/235 Test  #91: substructTestCatch .....................   Passed    0.46 sec
+test 92
+        Start  92: testGenericGroups
+
+92: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
+92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups
+92: Test timeout computed to be: 1500
+90: [20:54:39] -------------------------------------
+90: [20:54:39]     Testing matching E/Z against Cis/Trans stereo bonds
+90: [20:54:39] 
 90: 
 90: ****
 90: Pre-condition Violation
@@ -22386,15 +22422,15 @@
 90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 90:  3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  4# 0x0000AAAABB0DAED0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  5# 0x0000AAAABB0C9AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  6# 0x0000FFFFBC66229C in /lib/aarch64-linux-gnu/libc.so.6
+90:  4# 0x0000AAAADE17AED0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  5# 0x0000AAAADE169AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  6# 0x0000FFFFA2C8229C in /lib/aarch64-linux-gnu/libc.so.6
 90:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-90:  8# 0x0000AAAABB0C9CF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  8# 0x0000AAAADE169CF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
 90: ----------
 90: ****
 90: 
-90: [00:53:07] 
+90: [20:54:39] 
 90: 
 90: ****
 90: Pre-condition Violation
@@ -22407,477 +22443,460 @@
 90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 90:  3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  4# 0x0000AAAABB0DB520 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  5# 0x0000AAAABB0C9AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  6# 0x0000FFFFBC66229C in /lib/aarch64-linux-gnu/libc.so.6
+90:  4# 0x0000AAAADE17B520 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  5# 0x0000AAAADE169AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  6# 0x0000FFFFA2C8229C in /lib/aarch64-linux-gnu/libc.so.6
 90:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-90:  8# 0x0000AAAABB0C9CF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  8# 0x0000AAAADE169CF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
 90: ----------
 90: ****
 90: 
-90: [00:53:07] -------------------------------------
-90: [00:53:07] Test substructure matching with a pathological case for symmetric SSSR
-90: [00:53:07] -------------------------------------
-90: [00:53:07] Test isAtomTerminalRGroupOrQueryHydrogen
- 79/235 Test  #90: testSubstructMatch .....................   Passed    0.24 sec
-test 91
-        Start  91: substructTestCatch
-
-91: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
-91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
-91: Test timeout computed to be: 1500
-41: [00:53:08] Finished
-41: [00:53:08] testing stability w.r.t. renumbering.
-41: [00:53:08] Finished
-41: [00:53:08] testing smiles round-tripping.
-89: Randomness seeded to: 2960119132
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-41: [00:53:08] Finished
-41: [00:53:08] testing github #1567: Non-canonical result from MolFragmentToSmiles()
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-41: [00:53:08] Finished
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
- 80/235 Test  #41: hanoiTest ..............................   Passed    2.38 sec
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-test 92
-        Start  92: testGenericGroups
-
-92: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
-92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups
-92: Test timeout computed to be: 1500
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-12: ..................
-12: ----------------------------------------------------------------------
-12: Ran 18 tests in 2.684s
-12: 
-12: OK
-70: [00:53:08]  deprecated group abbreviation ignored on line 24
-70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-70: [00:53:08] 
-70: 
-70: ****
-70: Post-condition Violation
-70: Element 'Mv' not found
-70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-70: Failed Expression: anum > -1
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  3# 0x0000FFFF9D2F7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  4# 0x0000FFFF9D305BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  5# 0x0000FFFF9D306AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  9# 0x0000AAAAB9DFF83C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 10# 0x0000AAAAB9E74B44 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 11# 0x0000AAAAB9DE5D2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 12# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
-70: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-70: 14# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
- 81/235 Test  #12: pyBV ...................................   Passed    2.92 sec
+90: [20:54:39] -------------------------------------
+90: [20:54:39] Test substructure matching with a pathological case for symmetric SSSR
+90: [20:54:39] -------------------------------------
+90: [20:54:39] Test isAtomTerminalRGroupOrQueryHydrogen
+ 81/235 Test  #90: testSubstructMatch .....................   Passed    0.50 sec
 test 93
         Start  93: testReaction
 
 93: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
 93: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
 93: Test timeout computed to be: 1500
-91: Randomness seeded to: 3296904717
-91: ===============================================================================
-91: All tests passed (242 assertions in 12 test cases)
-91: 
- 82/235 Test  #91: substructTestCatch .....................   Passed    0.34 sec
-test 94
-        Start  94: testReactionFingerprints
-
-94: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
-94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
-94: Test timeout computed to be: 1500
+41: [20:54:39] done: 500000
+41: [20:54:39] Done
 93: smi: O=C1CNC(=O)CN1
 93: 1: O=C1CNC(=O)CN1
 93: 2: COOC
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
 93: O=C1CNC(=O)CN1
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 93:   unmapped numbers are: 4 
-93: [00:53:08] atom 0 in product 0 has multiple charge specifications.
+93: [20:54:39] atom 0 in product 0 has multiple charge specifications.
 93:  mass: 15.0001
 93: Oc1ccccn1
 93: Oc1ccc[nH]1
-94: [00:53:08] -------------------------------------
-94: [00:53:08]     Test Reaction StructuralFingerprint
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:2]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:2])
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
-93: [00:53:08] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [00:53:08] SMILES Parse Error: check for mistakes around position 2:
-93: [00:53:08] [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [00:53:08] ~^
-93: [00:53:08] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
-93: [00:53:08] reactant 2 has no mapped atoms.
-70: [00:53:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: [00:53:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-93: [00:53:08] >> Atoms within one molecule have different RXN roles.
-93: [00:53:08] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:2]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
-93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
-93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
-93: [00:53:08] reactant 0 has no mapped atoms.
-93: [00:53:08] reactant 1 has no mapped atoms.
-93: [00:53:08] reactant 3 has no mapped atoms.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 5 found multiple times.
-93: [00:53:08] product atom-mapping number 6 found multiple times.
-93: [00:53:08] product atom-mapping number 7 found multiple times.
-93: [00:53:08] product atom-mapping number 8 found multiple times.
-93: [00:53:08] product atom-mapping number 12 found multiple times.
-93: [00:53:08] product atom-mapping number 9 found multiple times.
-93: [00:53:08] product atom-mapping number 10 found multiple times.
-93: [00:53:08] product atom-mapping number 11 found multiple times.
-93: [00:53:08] reactant 0 has no mapped atoms.
-93: [00:53:08] reactant 1 has no mapped atoms.
-93: [00:53:08] reactant 3 has no mapped atoms.
-93: [00:53:08] reactant atom-mapping number 19 found multiple times.
-93: [00:53:08] reactant atom-mapping number 25 found multiple times.
-93: [00:53:08] reactant atom-mapping number 20 found multiple times.
-93: [00:53:08] reactant atom-mapping number 21 found multiple times.
-93: [00:53:08] reactant atom-mapping number 22 found multiple times.
-93: [00:53:08] reactant atom-mapping number 23 found multiple times.
-93: [00:53:08] reactant atom-mapping number 24 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
+41: [20:54:39] Testing hanoi with a functor.
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: ([C:2]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: [C:2])
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
+93: [20:54:39] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [20:54:39] SMILES Parse Error: check for mistakes around position 2:
+93: [20:54:39] [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [20:54:39] ~^
+93: [20:54:39] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+93: [20:54:39] reactant 2 has no mapped atoms.
+93: [20:54:39] >> Atoms within one molecule have different RXN roles.
+93: [20:54:39] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: ([C:2]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
+93: [20:54:39] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
+93: [20:54:39] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
+93: [20:54:39] reactant 0 has no mapped atoms.
+93: [20:54:39] reactant 1 has no mapped atoms.
+93: [20:54:39] reactant 3 has no mapped atoms.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 5 found multiple times.
+93: [20:54:39] product atom-mapping number 6 found multiple times.
+93: [20:54:39] product atom-mapping number 7 found multiple times.
+93: [20:54:39] product atom-mapping number 8 found multiple times.
+93: [20:54:39] product atom-mapping number 12 found multiple times.
+93: [20:54:39] product atom-mapping number 9 found multiple times.
+93: [20:54:39] product atom-mapping number 10 found multiple times.
+41: [20:54:39] Done
+41: [20:54:39] Testing basic partition refinement.
+41: [20:54:39] Done
+41: [20:54:39] Testing partition refinement with neighbors.
+41: [20:54:39] Done
+41: [20:54:39] testing canonicalization via tie breaking.
+41: [20:54:39] Done
+41: [20:54:39] testing canonicalization using the wrapper.
+93: [20:54:39] product atom-mapping number 11 found multiple times.
+93: [20:54:39] reactant 0 has no mapped atoms.
+93: [20:54:39] reactant 1 has no mapped atoms.
+93: [20:54:39] reactant 3 has no mapped atoms.
+93: [20:54:39] reactant atom-mapping number 19 found multiple times.
+93: [20:54:39] reactant atom-mapping number 25 found multiple times.
+93: [20:54:39] reactant atom-mapping number 20 found multiple times.
+93: [20:54:39] reactant atom-mapping number 21 found multiple times.
+93: [20:54:39] reactant atom-mapping number 22 found multiple times.
+93: [20:54:39] reactant atom-mapping number 23 found multiple times.
+93: [20:54:39] reactant atom-mapping number 24 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
 93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
 93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [00:53:08] product atom-mapping number 5 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 5 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 5 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 5 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
 93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [00:53:08] product atom-mapping number 5 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 5 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 5 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 5 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
 93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
 93: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
 93: F[C@](Cl)(Br)O[C@](F)(Cl)Br
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 4 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 4 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 93:   unmapped numbers are: 4 
-93: [00:53:08] product atom-mapping number 3 found multiple times.
-93: [00:53:08] product atom-mapping number 2 found multiple times.
-93: [00:53:08] product atom-mapping number 1 found multiple times.
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+93: [20:54:39] product atom-mapping number 3 found multiple times.
+93: [20:54:39] product atom-mapping number 2 found multiple times.
+93: [20:54:39] product atom-mapping number 1 found multiple times.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 93:   unmapped numbers are: 4 
-93: [00:53:08] product atom-mapping number 6 not found in reactants.
-93: [00:53:08] product atom-mapping number 7 not found in reactants.
-93: [00:53:08] product atom-mapping number 8 not found in reactants.
-93: [00:53:08] product atom-mapping number 7 not found in reactants.
-93: [00:53:08] product atom-mapping number 8 not found in reactants.
-93: [00:53:08] product atom-mapping number 9 not found in reactants.
-93: [00:53:08] product atom-mapping number 10 not found in reactants.
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+93: [20:54:39] product atom-mapping number 6 not found in reactants.
+93: [20:54:39] product atom-mapping number 7 not found in reactants.
+93: [20:54:39] product atom-mapping number 8 not found in reactants.
+93: [20:54:39] product atom-mapping number 7 not found in reactants.
+93: [20:54:39] product atom-mapping number 8 not found in reactants.
+93: [20:54:39] product atom-mapping number 9 not found in reactants.
+93: [20:54:39] product atom-mapping number 10 not found in reactants.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 93:   unmapped numbers are: 6 
-93: [00:53:08] product atom-mapping number 7 not found in reactants.
-93: [00:53:08] product atom-mapping number 8 not found in reactants.
-93: [00:53:08] product atom-mapping number 9 not found in reactants.
-93: [00:53:08] product atom-mapping number 10 not found in reactants.
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+93: [20:54:39] product atom-mapping number 7 not found in reactants.
+93: [20:54:39] product atom-mapping number 8 not found in reactants.
+93: [20:54:39] product atom-mapping number 9 not found in reactants.
+93: [20:54:39] product atom-mapping number 10 not found in reactants.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 93:   unmapped numbers are: 6 
+41: [20:54:39] Done
+41: [20:54:39] testing some specific ordering problems
+41: [20:54:39] Finished
+41: [20:54:39] testing chiral invariants.
+41: [20:54:39] Finished
+41: [20:54:39] testing unique ranks in w.r.t. renumbering.
 93: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
 93: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
-94: [00:53:08] -------------------------------------
-94: [00:53:08]     Test Reaction DifferenceFingerprint
- 83/235 Test  #94: testReactionFingerprints ...............   Passed    0.06 sec
-test 95
-        Start  95: testEnumeration
-
-95: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
-95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
-95: Test timeout computed to be: 1500
+89: Randomness seeded to: 1607176379
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+70: [20:54:39] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:39] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:39] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:54:39] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+70: [20:54:39]  deprecated group abbreviation ignored on line 24
+70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+70: [20:54:39] 
+70: 
+70: ****
+70: Post-condition Violation
+70: Element 'Mv' not found
+70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+70: Failed Expression: anum > -1
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  3# 0x0000FFFFBBB87FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  4# 0x0000FFFFBBB95BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  5# 0x0000FFFFBBB96AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  9# 0x0000AAAAE2EBF83C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 10# 0x0000AAAAE2F34B44 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 11# 0x0000AAAAE2EA5D2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 12# 0x0000FFFFBB25229C in /lib/aarch64-linux-gnu/libc.so.6
+70: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+70: 14# 0x0000AAAAE2EA5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+41: [20:54:39] Finished
+41: [20:54:39] testing mol fragments.
+41: [20:54:39] Finished
+41: [20:54:39] testing protein round-tripping.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:54:39] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+93: [20:54:39] product atom-mapping number 17 not found in reactants.
+93: [20:54:39] product atom-mapping number 18 not found in reactants.
+93: [20:54:39] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 12 
+93: [20:54:39] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+93: [20:54:39] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+93: 
+93: [20:54:39] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
+93: -------------
+93: CCOc1ccccc1
+70: [20:54:39] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+70: [20:54:39] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 70: ----------------------------------
 70: ----------------------------------
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
-70: [00:53:08] 
+70: [20:54:39] 
 70: 
 70: ****
 70: Pre-condition Violation
@@ -22889,371 +22908,424 @@
 70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-70:  3# 0x0000AAAAB9E0F2FC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  4# 0x0000AAAAB9E74BA4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  5# 0x0000AAAAB9DE5D2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  6# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
+70:  3# 0x0000AAAAE2ECF2FC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  4# 0x0000AAAAE2F34BA4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  5# 0x0000AAAAE2EA5D2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  6# 0x0000FFFFBB25229C in /lib/aarch64-linux-gnu/libc.so.6
 70:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-70:  8# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  8# 0x0000AAAAE2EA5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
 70: ----------
 70: ****
 70: 
-70: [00:53:08] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-89: [00:53:08] Explicit valence for atom # 9 N, 6, is greater than permitted
-92: Randomness seeded to: 43821469
+70: [20:54:39] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+93: [20:54:39] reactant 0 has no mapped atoms.
+93: [20:54:39] product 0 has no mapped atoms.
+93: [20:54:39] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
+ 82/235 Test  #93: testReaction ...........................   Passed    0.47 sec
+test 94
+        Start  94: testReactionFingerprints
+
+94: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
+94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
+94: Test timeout computed to be: 1500
+94: [20:54:39] -------------------------------------
+94: [20:54:39]     Test Reaction StructuralFingerprint
+92: Randomness seeded to: 4005309639
 92: ===============================================================================
 92: All tests passed (11480 assertions in 38 test cases)
 92: 
- 84/235 Test  #92: testGenericGroups ......................   Passed    0.24 sec
+ 83/235 Test  #92: testGenericGroups ......................   Passed    0.56 sec
+test 95
+        Start  95: testEnumeration
+
+95: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
+95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
+95: Test timeout computed to be: 1500
+94: [20:54:39] -------------------------------------
+94: [20:54:39]     Test Reaction DifferenceFingerprint
+ 84/235 Test  #94: testReactionFingerprints ...............   Passed    0.10 sec
 test 96
         Start  96: rxnTestCatch
 
 96: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
 96: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
 96: Test timeout computed to be: 1500
- 85/235 Test  #43: resMolSupplierTest .....................   Passed    2.60 sec
-test 97
-        Start  97: pyChemReactions
-
-97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
-97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-97: Test timeout computed to be: 1500
-93: [00:53:08] product atom-mapping number 17 not found in reactants.
-93: [00:53:08] product atom-mapping number 18 not found in reactants.
-93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 12 
-96: Randomness seeded to: 3448127935
-96: [00:53:08] atom 0 in product 0 has multiple charge specifications.
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 34
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 36
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 38
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 40
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 42
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 87
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 89
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 91
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 93
-96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 95
-96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+96: Randomness seeded to: 2372998599
+96: [20:54:39] atom 0 in product 0 has multiple charge specifications.
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 34
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 36
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 38
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 40
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 42
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 87
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 89
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 91
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 93
+96: [20:54:39] Found a SCD/SED line with missing/empty SDT specification at line 95
+96: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 96:   unmapped numbers are: 2 
-96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+96: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 96:   unmapped numbers are: 2 
-96: [00:53:08] SMARTS Parse Error: unclosed ring for input: 'CC1'
-96: [00:53:08] SMILES Parse Error: unclosed ring for input: 'CC1'
-96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+96: [20:54:39] SMARTS Parse Error: unclosed ring for input: 'CC1'
+96: [20:54:39] SMILES Parse Error: unclosed ring for input: 'CC1'
+96: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 96:   unmapped numbers are: 2 
-96: [00:53:08] product atom-mapping number 2 not found in reactants.
-96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
+96: [20:54:39] product atom-mapping number 2 not found in reactants.
+96: [20:54:39] mapped atoms in the reactants were not mapped in the products.
 96:   unmapped numbers are: 2 
-96: [00:53:08] product atom-mapping number 2 not found in reactants.
-96: [00:53:08] CX Extensions: Substance group hierarchy is not always preserved.
-96: [00:53:08] CX Extensions: Substance group hierarchy is not always preserved.
-95: 30000000 30000000
-96: [00:53:08] reactant 0 has no mapped atoms.
-96: [00:53:08] product 0 has no mapped atoms.
-96: [00:53:08] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-96: [00:53:08] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-96: [00:53:08] Explicit valence for atom # 1 O, 5, is greater than permitted
-29: All 191 tests passed
+96: [20:54:39] product atom-mapping number 2 not found in reactants.
+96: [20:54:39] CX Extensions: Substance group hierarchy is not always preserved.
+96: [20:54:39] CX Extensions: Substance group hierarchy is not always preserved.
+41: [20:54:39] Finished
+41: [20:54:39] testing stability w.r.t. renumbering.
+96: [20:54:39] reactant 0 has no mapped atoms.
+96: [20:54:39] product 0 has no mapped atoms.
+96: [20:54:39] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+96: [20:54:39] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+96: [20:54:39] Explicit valence for atom # 1 O, 5, is greater than permitted
 96: ===============================================================================
 96: All tests passed (722 assertions in 30 test cases)
 96: 
- 86/235 Test  #96: rxnTestCatch ...........................   Passed    0.06 sec
+ 85/235 Test  #96: rxnTestCatch ...........................   Passed    0.12 sec
+test 97
+        Start  97: pyChemReactions
+
+97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
+97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+97: Test timeout computed to be: 1500
+95: 30000000 30000000
+41: [20:54:39] Finished
+41: [20:54:39] testing smiles round-tripping.
+41: [20:54:40] Finished
+41: [20:54:40] testing github #1567: Non-canonical result from MolFragmentToSmiles()
+41: [20:54:40] Finished
+ 86/235 Test  #41: hanoiTest ..............................   Passed    4.31 sec
 test 98
         Start  98: pyChemReactionEnumerations
 
 98: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
 98: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 98: Test timeout computed to be: 1500
-93: [00:53:08] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-93: [00:53:08] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-93: 
-93: [00:53:08] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
-93: -------------
-93: CCOc1ccccc1
-70: [00:53:08] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-70: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
-70: [00:53:08] Empty atom list: 'M  ALS   1  0 F' on line 8.
- 87/235 Test  #70: fileParsersTest1 .......................   Passed    1.84 sec
+89: [20:54:40] Explicit valence for atom # 9 N, 6, is greater than permitted
+70: [20:54:40] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+70: [20:54:40] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+89: [20:54:40] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [20:54:40] Explicit valence for atom # 4 Al, 6, is greater than permitted
+70: [20:54:40] Empty atom list: 'M  ALS   1  0 F' on line 8.
+89: [20:54:40] Explicit valence for atom # 10 Si, 6, is greater than permitted
+ 87/235 Test  #70: fileParsersTest1 .......................   Passed    3.23 sec
 test 99
         Start  99: pyChemReactionSanitize
 
 99: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
 99: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 99: Test timeout computed to be: 1500
-93: [00:53:08] reactant 0 has no mapped atoms.
-93: [00:53:08] product 0 has no mapped atoms.
-93: [00:53:08] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
- 88/235 Test  #93: testReaction ...........................   Passed    0.35 sec
-test 100
-        Start 100: testChemTransforms
-
-100: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
-100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
-100: Test timeout computed to be: 1500
-100: 1 smi: CC
-100: 1 smi: CC
-100: 2 smi: CCO[C@H](N)P
-100: 2 smi: CC
-100: replaceSub smi1:CCP(CC)[C@@H](N)O
-100: replaceSub smi1:CCNCC
-100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
-100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
-98: [00:53:08] == testCartesianProduct
-100: [00:53:08] SMARTS Parse Error: syntax error while parsing: bar
-100: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
-98: .[00:53:08] == testEnumerateLibrary
-89: [00:53:08] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [20:54:40] Explicit valence for atom # 2 O, 4, is greater than permitted
+89: [20:54:40] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [20:54:40] Explicit valence for atom # 3 Be, 4, is greater than permitted
+89: [20:54:40] Explicit valence for atom # 27 P, 6, is greater than permitted
+98: [20:54:40] == testCartesianProduct
+97: ...[20:54:40] 
+97: 
+97: ****
+97: Pre-condition Violation
+97: getNumImplicitHs() called without preceding call to calcImplicitValence()
+97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
+97: Failed Expression: d_implicitValence > -1
+97: ----------
+97: Stacktrace:
+97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
+97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 25# 0x0000FFFF81E72680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
+97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
+97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 36# 0x0000FFFF8047B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 37# 0x0000FFFF8047B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 38# 0x0000FFFF8047B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 39# 0x0000FFFF8047B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 40# 0x0000FFFF8047B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 46# 0x0000FFFF81E6F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 47# _PyObject_MakeTpCall in /usr/bin/python3
+97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 49# 0x0000000000531670 in /usr/bin/python3
+97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 51# 0x00000000004AB0F4 in /usr/bin/python3
+97: 52# 0x0000000000662B58 in /usr/bin/python3
+97: 53# _PyObject_MakeTpCall in /usr/bin/python3
+97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 55# 0x0000000000531670 in /usr/bin/python3
+97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 57# 0x00000000004AB0F4 in /usr/bin/python3
+97: 58# 0x0000000000662B58 in /usr/bin/python3
+97: 59# _PyObject_MakeTpCall in /usr/bin/python3
+97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 61# 0x0000000000531670 in /usr/bin/python3
+97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 63# 0x00000000004AB0F4 in /usr/bin/python3
+97: 64# 0x0000000000662B58 in /usr/bin/python3
+97: 65# _PyObject_MakeTpCall in /usr/bin/python3
+97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 67# 0x0000000000503550 in /usr/bin/python3
+97: 68# _PyObject_MakeTpCall in /usr/bin/python3
+97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 70# PyEval_EvalCode in /usr/bin/python3
+97: 71# 0x00000000005FD91C in /usr/bin/python3
+97: 72# 0x00000000005F7E70 in /usr/bin/python3
+97: 73# 0x00000000006258F0 in /usr/bin/python3
+97: 74# 0x0000000000625034 in /usr/bin/python3
+97: 75# 0x0000000000624DCC in /usr/bin/python3
+97: 76# Py_RunMain in /usr/bin/python3
+97: 77# Py_BytesMain in /usr/bin/python3
+97: 78# 0x0000FFFF829A229C in /lib/aarch64-linux-gnu/libc.so.6
+97: 79# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+97: 80# _start in /usr/bin/python3
+97: ----------
+97: ****
+97: 
+97: [20:54:40] 
+97: 
+97: ****
+89: [20:54:40] Explicit valence for atom # 9 N, 6, is greater than permitted
+97: Pre-condition Violation
+97: getNumImplicitHs() called without preceding call to calcImplicitValence()
+97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
+97: Failed Expression: d_implicitValence > -1
+97: ----------
+97: Stacktrace:
+97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
+97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 25# 0x0000FFFF81E72680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
+97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
+97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 36# 0x0000FFFF8047B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 37# 0x0000FFFF8047B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 38# 0x0000FFFF8047B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 39# 0x0000FFFF8047B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 40# 0x0000FFFF8047B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 46# 0x0000FFFF81E6F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+97: 47# _PyObject_MakeTpCall in /usr/bin/python3
+97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 49# 0x0000000000531670 in /usr/bin/python3
+97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 51# 0x00000000004AB0F4 in /usr/bin/python3
+97: 52# 0x0000000000662B58 in /usr/bin/python3
+97: 53# _PyObject_MakeTpCall in /usr/bin/python3
+97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 55# 0x0000000000531670 in /usr/bin/python3
+97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 57# 0x00000000004AB0F4 in /usr/bin/python3
+97: 58# 0x0000000000662B58 in /usr/bin/python3
+97: 59# _PyObject_MakeTpCall in /usr/bin/python3
+97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 61# 0x0000000000531670 in /usr/bin/python3
+97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 63# 0x00000000004AB0F4 in /usr/bin/python3
+97: 64# 0x0000000000662B58 in /usr/bin/python3
+97: 65# _PyObject_MakeTpCall in /usr/bin/python3
+97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 67# 0x0000000000503550 in /usr/bin/python3
+97: 68# _PyObject_MakeTpCall in /usr/bin/python3
+97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 70# PyEval_EvalCode in /usr/bin/python3
+97: 71# 0x00000000005FD91C in /usr/bin/python3
+97: 72# 0x00000000005F7E70 in /usr/bin/python3
+97: 73# 0x00000000006258F0 in /usr/bin/python3
+97: 74# 0x0000000000625034 in /usr/bin/python3
+97: 75# 0x0000000000624DCC in /usr/bin/python3
+97: 76# Py_RunMain in /usr/bin/python3
+97: 77# Py_BytesMain in /usr/bin/python3
+97: 78# 0x0000FFFF829A229C in /lib/aarch64-linux-gnu/libc.so.6
+97: 79# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+97: 80# _start in /usr/bin/python3
+97: ----------
+97: ****
+97: 
+98: .[20:54:40] == testEnumerateLibrary
 98: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
 98:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
 98: ResourceWarning: Enable tracemalloc to get the object allocation traceback
- 89/235 Test #100: testChemTransforms .....................   Passed    0.07 sec
-test 101
-        Start 101: chemTransformsTestCatch
-
-101: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
-101: Test timeout computed to be: 1500
-89: [00:53:08] Explicit valence for atom # 4 Al, 6, is greater than permitted
-101: Randomness seeded to: 2904855389
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-98: ..[00:53:08] == testRGroupState
-89: [00:53:08] Explicit valence for atom # 10 Si, 6, is greater than permitted
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-98: .[00:53:08] == testRandomEnumerateAllBBsLibrary
+97: .........[20:54:40] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [20:54:40] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [20:54:40] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [20:54:40] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: .[20:54:40] product atom-mapping number 1 found multiple times.
+97: [20:54:40] product atom-mapping number 1 found multiple times.
+89: [20:54:40] Explicit valence for atom # 3 Al, 6, is greater than permitted
+97: ................[20:54:40] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 3 
+97: [20:54:40] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 3 
+97: .<frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
+97: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
+97: [20:54:40] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 3 
+97: ..[20:54:40] reactant 2 has no mapped atoms.
+97: [20:54:40] reactant 2 has no mapped atoms.
+97: [20:54:40] product 1 has no mapped atoms.
+89: [20:54:40] Explicit valence for atom # 4 Al, 6, is greater than permitted
+97: ........[20:54:40] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
+97: [20:54:40] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
+97: [20:54:40] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
+97: [20:54:40] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
+89: [20:54:40] Explicit valence for atom # 10 Si, 6, is greater than permitted
+97: .[20:54:40] reactant atom-mapping number 1 found multiple times.
+97: [20:54:40] product atom-mapping number 2 not found in reactants.
+97: [20:54:40] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 4 
+97: [20:54:40] product atom-mapping number 5 not found in reactants.
+98: ..[20:54:40] == testRGroupState
+98: .[20:54:41] == testRandomEnumerateAllBBsLibrary
 98: ** [1, 1]
 98: ** [0, 2]
 98: ** [1, 0]
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-97: ...[00:53:08] 
-97: 
-97: ****
-98: .[00:53:08] == testRandomEnumerateLibrary
-101: [00:53:08] Incomplete atom labelling, cannot make bond
-101: [00:53:08] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-101: [00:53:08] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: zipped Bond already exists, perhaps labels are duplicated
-101: Violation occurred on line 735 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  5# 0x0000AAAABB34D298 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 12# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
-101: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-101: 14# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-101: ===============================================================================
-101: All tests passed (674 assertions in 9 test cases)
-101: 
- 90/235 Test #101: chemTransformsTestCatch ................   Passed    0.07 sec
-test 102
-        Start 102: tautomerQueryTestCatch
-
-102: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
-102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery
-102: Test timeout computed to be: 1500
-98: .[00:53:08] == testRandomSample
-98: .[00:53:08] == testRandomSampleAllBBs
-98: .[00:53:08]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-98: [00:53:08]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-98: .[00:53:08] == testRemoveBadMatches
-98: .[00:53:08] == testTimings
-99: .[00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: .[00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
+98: .[20:54:41] == testRandomEnumerateLibrary
+97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
+97:   png = open(fname, 'rb').read()
+97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
+89: [20:54:41] Explicit valence for atom # 2 O, 4, is greater than permitted
+89: [20:54:41] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [20:54:41] Explicit valence for atom # 3 Be, 4, is greater than permitted
+99: .[20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+98: .[20:54:41] == testRandomSample
+98: .[20:54:41] == testRandomSampleAllBBs
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 34
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 36
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 38
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 40
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 42
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 87
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 89
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 91
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 93
+97: [20:54:41] Found a SCD/SED line with missing/empty SDT specification at line 95
+98: .[20:54:41]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+98: [20:54:41]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+98: .[20:54:41] == testRemoveBadMatches
+98: .[20:54:41] == testTimings
+99: .[20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+89: [20:54:41] Explicit valence for atom # 27 P, 6, is greater than permitted
+97: ..[20:54:41] SMARTS Parse Error: syntax error while parsing: boromicacid
+97: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+97: [20:54:41] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+97: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+97: [20:54:41] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+97: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
 99: ()
 99: ********************************************
 99: $RXN
@@ -23617,16 +23689,16 @@
 99:   1  2  1  0
 99: M  ISO  2   1   1   2   2
 99: M  END
-99: [00:53:08] reactant 0 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] product 0 has no mapped atoms.
-99: [00:53:08] Could not find RLabel mapping for atom: 0 in template: 1
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
-99: [00:53:08] reactant 1 has no mapped atoms.
+99: [20:54:41] reactant 0 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] product 0 has no mapped atoms.
+99: [20:54:41] Could not find RLabel mapping for atom: 0 in template: 1
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
+99: [20:54:41] reactant 1 has no mapped atoms.
 99: ..
 99: ----------------------------------------------------------------------
-99: Ran 4 tests in 0.025s
+99: Ran 4 tests in 0.065s
 99: 
 99: OK
 99: 
@@ -23683,288 +23755,256 @@
 99: M  END
 99: 
 99: $RXN Failed
-97: Pre-condition Violation
-97: getNumImplicitHs() called without preceding call to calcImplicitValence()
-97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
-97: Failed Expression: d_implicitValence > -1
-97: ----------
-97: Stacktrace:
-97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
-97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 25# 0x0000FFFFAD592680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
-97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
-97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 36# 0x0000FFFFABB9B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 37# 0x0000FFFFABB9B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 38# 0x0000FFFFABB9B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 39# 0x0000FFFFABB9B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 40# 0x0000FFFFABB9B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 46# 0x0000FFFFAD58F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 47# _PyObject_MakeTpCall in /usr/bin/python3
-97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 49# 0x0000000000531670 in /usr/bin/python3
-97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 51# 0x00000000004AB0F4 in /usr/bin/python3
-97: 52# 0x0000000000662B58 in /usr/bin/python3
-97: 53# _PyObject_MakeTpCall in /usr/bin/python3
-97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 55# 0x0000000000531670 in /usr/bin/python3
-97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 57# 0x00000000004AB0F4 in /usr/bin/python3
-97: 58# 0x0000000000662B58 in /usr/bin/python3
-97: 59# _PyObject_MakeTpCall in /usr/bin/python3
-97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 61# 0x0000000000531670 in /usr/bin/python3
-97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 63# 0x00000000004AB0F4 in /usr/bin/python3
-97: 64# 0x0000000000662B58 in /usr/bin/python3
-97: 65# _PyObject_MakeTpCall in /usr/bin/python3
-97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 67# 0x0000000000503550 in /usr/bin/python3
-97: 68# _PyObject_MakeTpCall in /usr/bin/python3
-97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 70# PyEval_EvalCode in /usr/bin/python3
-97: 71# 0x00000000005FD91C in /usr/bin/python3
-97: 72# 0x00000000005F7E70 in /usr/bin/python3
-97: 73# 0x00000000006258F0 in /usr/bin/python3
-97: 74# 0x0000000000625034 in /usr/bin/python3
-97: 75# 0x0000000000624DCC in /usr/bin/python3
-97: 76# Py_RunMain in /usr/bin/python3
-97: 77# Py_BytesMain in /usr/bin/python3
-97: 78# 0x0000FFFFAE0C229C in /lib/aarch64-linux-gnu/libc.so.6
-97: 79# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-97: 80# _start in /usr/bin/python3
-97: ----------
-97: ****
-97: 
-97: [00:53:08] 
-97: 
-97: ****
-97: Pre-condition Violation
-97: getNumImplicitHs() called without preceding call to calcImplicitValence()
-97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
-97: Failed Expression: d_implicitValence > -1
-97: ----------
-97: Stacktrace:
-97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
-97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 25# 0x0000FFFFAD592680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
-97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
-97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 36# 0x0000FFFFABB9B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 37# 0x0000FFFFABB9B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 38# 0x0000FFFFABB9B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 39# 0x0000FFFFABB9B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 40# 0x0000FFFFABB9B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 46# 0x0000FFFFAD58F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-97: 47# _PyObject_MakeTpCall in /usr/bin/python3
-97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 49# 0x0000000000531670 in /usr/bin/python3
-97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 51# 0x00000000004AB0F4 in /usr/bin/python3
-97: 52# 0x0000000000662B58 in /usr/bin/python3
-97: 53# _PyObject_MakeTpCall in /usr/bin/python3
-97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 55# 0x0000000000531670 in /usr/bin/python3
-97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 57# 0x00000000004AB0F4 in /usr/bin/python3
-97: 58# 0x0000000000662B58 in /usr/bin/python3
-97: 59# _PyObject_MakeTpCall in /usr/bin/python3
-97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 61# 0x0000000000531670 in /usr/bin/python3
-97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 63# 0x00000000004AB0F4 in /usr/bin/python3
-97: 64# 0x0000000000662B58 in /usr/bin/python3
-97: 65# _PyObject_MakeTpCall in /usr/bin/python3
-97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 67# 0x0000000000503550 in /usr/bin/python3
-97: 68# _PyObject_MakeTpCall in /usr/bin/python3
-97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 70# PyEval_EvalCode in /usr/bin/python3
-97: 71# 0x00000000005FD91C in /usr/bin/python3
-97: 72# 0x00000000005F7E70 in /usr/bin/python3
-97: 73# 0x00000000006258F0 in /usr/bin/python3
-97: 74# 0x0000000000625034 in /usr/bin/python3
-97: 75# 0x0000000000624DCC in /usr/bin/python3
-97: 76# Py_RunMain in /usr/bin/python3
-97: 77# Py_BytesMain in /usr/bin/python3
-97: 78# 0x0000FFFFAE0C229C in /lib/aarch64-linux-gnu/libc.so.6
-97: 79# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-97: 80# _start in /usr/bin/python3
-97: ----------
-97: ****
+89: ===============================================================================
+89: All tests passed (21562 assertions in 3 test cases)
+89: 
+97: [20:54:41] reaction has no reactants
+97: [20:54:41] reaction has no products
+97: [20:54:41] initialization failed
+97: [20:54:41] reaction has no reactants
+97: [20:54:41] reaction has no products
+97: .[20:54:41] SMARTS Parse Error: syntax error while parsing: boromicacid
+97: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+ 88/235 Test  #89: multithreadedSupplierCatchTest .........   Passed    2.49 sec
+test 100
+        Start 100: testChemTransforms
+
+100: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
+100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
+100: Test timeout computed to be: 1500
+97: [20:54:41] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+97: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+97: [20:54:41] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+97: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+97: [20:54:41] reaction has no reactants
+97: [20:54:41] reaction has no products
+97: [20:54:41] initialization failed
+97: [20:54:41] reaction has no reactants
+97: [20:54:41] reaction has no products
+97: .
+97: ----------------------------------------------------------------------
+97: Ran 54 tests in 0.382s
 97: 
-89: [00:53:08] Explicit valence for atom # 2 O, 4, is greater than permitted
-97: .........[00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: .[00:53:08] product atom-mapping number 1 found multiple times.
-97: [00:53:08] product atom-mapping number 1 found multiple times.
-89: [00:53:08] Explicit valence for atom # 3 Al, 6, is greater than permitted
-89: [00:53:08] Explicit valence for atom # 3 Be, 4, is greater than permitted
-97: ................[00:53:08] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 3 
-97: [00:53:08] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 3 
-89: [00:53:08] Explicit valence for atom # 27 P, 6, is greater than permitted
-97: .<frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
-97: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
-97: [00:53:08] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 3 
-97: ..[00:53:08] reactant 2 has no mapped atoms.
-97: [00:53:08] reactant 2 has no mapped atoms.
-97: [00:53:08] product 1 has no mapped atoms.
-97: ........[00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
-97: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
-97: .[00:53:08] reactant atom-mapping number 1 found multiple times.
-97: [00:53:08] product atom-mapping number 2 not found in reactants.
-97: [00:53:08] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 4 
-97: [00:53:08] product atom-mapping number 5 not found in reactants.
- 91/235 Test  #99: pyChemReactionSanitize .................   Passed    0.32 sec
+97: OK
+97: ********************************************
+97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
+97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0xffff7dbd35a0>
+100: 1 smi: CC
+100: 1 smi: CC
+100: 2 smi: CCO[C@H](N)P
+100: 2 smi: CC
+100: replaceSub smi1:CCP(CC)[C@@H](N)O
+100: replaceSub smi1:CCNCC
+100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
+100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
+100: [20:54:41] SMARTS Parse Error: syntax error while parsing: bar
+100: [20:54:41] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
+ 89/235 Test #100: testChemTransforms .....................   Passed    0.12 sec
+test 101
+        Start 101: chemTransformsTestCatch
+
+101: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
+101: Test timeout computed to be: 1500
+ 90/235 Test  #97: pyChemReactions ........................   Passed    1.41 sec
+test 102
+        Start 102: tautomerQueryTestCatch
+
+102: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
+102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery
+102: Test timeout computed to be: 1500
+101: Randomness seeded to: 1156587725
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000AAAAD4CD6F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000AAAAD4D250AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000AAAAD4D25A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000AAAAD4D25E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000AAAAD4CFA418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000AAAAD4CFA964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000AAAAD4CCC4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000FFFFAD05229C in /lib/aarch64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+101: 13# 0x0000AAAAD4CCC5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000AAAAD4CD6F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000AAAAD4D250AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000AAAAD4D25A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000AAAAD4D25E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000AAAAD4CFA418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000AAAAD4CFA964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000AAAAD4CCC4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000FFFFAD05229C in /lib/aarch64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+101: 13# 0x0000AAAAD4CCC5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000AAAAD4CD6F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000AAAAD4D250AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000AAAAD4D25A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000AAAAD4D25E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000AAAAD4CFA418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000AAAAD4CFA964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000AAAAD4CCC4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000FFFFAD05229C in /lib/aarch64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+101: 13# 0x0000AAAAD4CCC5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000AAAAD4CD6F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000AAAAD4D250AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000AAAAD4D25A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000AAAAD4D25E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000AAAAD4CFA418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000AAAAD4CFA964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000AAAAD4CCC4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000FFFFAD05229C in /lib/aarch64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+101: 13# 0x0000AAAAD4CCC5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+ 91/235 Test  #99: pyChemReactionSanitize .................   Passed    1.04 sec
 test 103
         Start 103: pyTautomerQuery
 
 103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
 103: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
 103: Test timeout computed to be: 1500
-102: Randomness seeded to: 3211062070
-102: ===============================================================================
-102: All tests passed (93 assertions in 13 test cases)
-102: 
- 92/235 Test #102: tautomerQueryTestCatch .................   Passed    0.15 sec
+101: [20:54:41] Incomplete atom labelling, cannot make bond
+101: [20:54:41] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000AAAAD4CD6F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000AAAAD4D250AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000AAAAD4D25A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000AAAAD4D25E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000AAAAD4CFA418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000AAAAD4CFA964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000AAAAD4CCC4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000FFFFAD05229C in /lib/aarch64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+101: 13# 0x0000AAAAD4CCC5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+101: [20:54:41] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: zipped Bond already exists, perhaps labels are duplicated
+101: Violation occurred on line 735 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  5# 0x0000AAAAD4CCD298 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000AAAAD4D250AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000AAAAD4D25A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000AAAAD4D25E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000AAAAD4CFA418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000AAAAD4CFA964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000AAAAD4CCC4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 12# 0x0000FFFFAD05229C in /lib/aarch64-linux-gnu/libc.so.6
+101: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+101: 14# 0x0000AAAAD4CCC5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+101: ===============================================================================
+101: All tests passed (674 assertions in 9 test cases)
+101: 
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+ 92/235 Test #101: chemTransformsTestCatch ................   Passed    0.08 sec
 test 104
         Start 104: testSubgraphs1
 
 104: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
 104: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
 104: Test timeout computed to be: 1500
-97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
-97:   png = open(fname, 'rb').read()
-97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 34
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 36
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 38
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 40
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 42
 104: -----------------------
 104:  Subgraph retrieval
 104: Finished
 104: -----------------------
 104:  testSubgraphs2a
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 87
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 89
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 91
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 93
-97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 95
 104: Finished
 104: -----------------------
 104:  testSubgraphs2
-97: ..[00:53:08] SMARTS Parse Error: syntax error while parsing: boromicacid
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-97: [00:53:08] reaction has no reactants
-97: [00:53:08] reaction has no products
-97: [00:53:08] initialization failed
-97: [00:53:08] reaction has no reactants
-97: [00:53:08] reaction has no products
-97: .[00:53:08] SMARTS Parse Error: syntax error while parsing: boromicacid
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-97: [00:53:08] reaction has no reactants
-97: [00:53:08] reaction has no products
-97: [00:53:08] initialization failed
-97: [00:53:08] reaction has no reactants
-97: [00:53:08] reaction has no products
-97: .
-97: ----------------------------------------------------------------------
-97: Ran 54 tests in 0.219s
-97: 
-97: OK
-97: ********************************************
-97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
-97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0xffffa92f3450>
+29: All 191 tests passed
 104: Finished
 104: -----------------------
 104:  Path retrieval
@@ -23977,7 +24017,13 @@
 104: Finished
 104: -----------------------
 104:  testUniqueSubgraphs2
- 93/235 Test  #97: pyChemReactions ........................   Passed    0.59 sec
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
+102: Randomness seeded to: 675980951
+102: ===============================================================================
+102: All tests passed (93 assertions in 13 test cases)
+102: 
+ 93/235 Test #102: tautomerQueryTestCatch .................   Passed    0.22 sec
 test 105
         Start 105: testSubgraphs2
 
@@ -24006,24 +24052,18 @@
 106: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
 106: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
 106: Test timeout computed to be: 1500
-106: Randomness seeded to: 42486228
+106: Randomness seeded to: 803450195
 106: ---------
 106: ===============================================================================
 106: All tests passed (11 assertions in 1 test case)
 106: 
-103: .....
-103: ----------------------------------------------------------------------
-103: Ran 5 tests in 0.024s
-103: 
-103: OK
- 95/235 Test #106: subgraphsCatch .........................   Passed    0.04 sec
+ 95/235 Test #106: subgraphsCatch .........................   Passed    0.03 sec
 test 107
         Start 107: filterCatalogTest
 
 107: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
 107: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog
 107: Test timeout computed to be: 1500
-89: [00:53:09] Explicit valence for atom # 9 N, 6, is greater than permitted
 104: Finished
 104: -----------------------
 104:  testRootedSubgraphs
@@ -24031,21 +24071,13 @@
 104: -----------------------
 104:  testRootedPaths
 104: Finished
- 96/235 Test #104: testSubgraphs1 .........................   Passed    0.20 sec
+ 96/235 Test #104: testSubgraphs1 .........................   Passed    0.26 sec
 test 108
         Start 108: pyFilterCatalog
 
 108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
 108: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
 108: Test timeout computed to be: 1500
- 97/235 Test #103: pyTautomerQuery ........................   Passed    0.24 sec
-test 109
-        Start 109: testFragCatalog
-
-109: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog
-109: Test timeout computed to be: 1500
-109:  21
 107: Warning: molecule failed filter 
 107: Warning: molecule failed filter: reason hzone_phenol_A(479)
 107: v = { 
@@ -24134,123 +24166,94 @@
 107: 	10,15},
 107: 	11,16},
 107: }
-89: [00:53:09] Explicit valence for atom # 3 Al, 6, is greater than permitted
-89: [00:53:09] Explicit valence for atom # 4 Al, 6, is greater than permitted
-89: [00:53:09] Explicit valence for atom # 10 Si, 6, is greater than permitted
- 98/235 Test #107: filterCatalogTest ......................   Passed    0.20 sec
+103: .....
+103: ----------------------------------------------------------------------
+103: Ran 5 tests in 0.052s
+103: 
+103: OK
+ 97/235 Test  #43: resMolSupplierTest .....................   Passed    5.97 sec
+test 109
+        Start 109: testFragCatalog
+
+109: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog
+109: Test timeout computed to be: 1500
+109:  21
+ 98/235 Test #103: pyTautomerQuery ........................   Passed    0.53 sec
 test 110
         Start 110: pyFragCatalog
 
 110: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
 110: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
 110: Test timeout computed to be: 1500
-98: .
-98: ----------------------------------------------------------------------
-98: Ran 11 tests in 0.661s
-98: 
-98: OK
-98: True
-98: == CartesianProductStrategy CartesianProductStrategy
-98: 197 out of 300
-98: 0 6 out of 10
-98: 1 3 out of 5
-98: 2 4 out of 6
-98: 198 out of 300
-98: 0 10 out of 10
-98: 1 5 out of 5
-98: 2 6 out of 6
-98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0xffff92475d50> Skipped 10000000 in 0.05721092224121094 seconds
-98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0xffff92475cb0> Skipped 10000000 in 0.32026052474975586 seconds
-98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0xffff92475bc0> Skipped 10000000 in 0.07423186302185059 seconds
-89: [00:53:09] Explicit valence for atom # 2 O, 4, is greater than permitted
- 99/235 Test  #98: pyChemReactionEnumerations .............   Passed    0.90 sec
+ 99/235 Test #107: filterCatalogTest ......................   Passed    0.36 sec
 test 111
         Start 111: testDescriptors
 
 111: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
 111: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 111: Test timeout computed to be: 1500
-89: [00:53:09] Explicit valence for atom # 3 Al, 6, is greater than permitted
-89: [00:53:09] Explicit valence for atom # 3 Be, 4, is greater than permitted
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Crippen parameter acquisition.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Crippen calculation.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Issue262: problems with Crippen calculation from pickles.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test AMW calculation.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Exact MW calculation.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Labute ASA descriptors.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test TPSA descriptors.
-89: [00:53:09] Explicit valence for atom # 27 P, 6, is greater than permitted
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Lipinski parameters.
-89: ===============================================================================
-89: All tests passed (21562 assertions in 3 test cases)
-89: 
-100/235 Test  #89: multithreadedSupplierCatchTest .........   Passed    1.73 sec
-test 112
-        Start 112: testAUTOCORR2D
-
-112: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
-112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-112: Test timeout computed to be: 1500
-112: [00:53:09] ----------------------------
-112: start test autocorr2D
 108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
 108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
+111: [20:54:41] -------------------------------------
+111: [20:54:41]     Test Crippen parameter acquisition.
+111: [20:54:41]   done
+111: [20:54:41] -------------------------------------
+111: [20:54:41]     Test Crippen calculation.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test Issue262: problems with Crippen calculation from pickles.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test AMW calculation.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test Exact MW calculation.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test Labute ASA descriptors.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test TPSA descriptors.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test Lipinski parameters.
 110: .........
 110: ----------------------------------------------------------------------
-110: Ran 9 tests in 0.030s
+110: Ran 9 tests in 0.072s
 110: 
 110: OK
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test VSA descriptors.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test molecular formula calculation.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Issue 3415534.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test Issue3433771: Bad definition for Crippen atom type O11.
-111: [00:53:09]   done
-111: [00:53:09] -------------------------------------
-111: [00:53:09]     Test multithreading
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test VSA descriptors.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test molecular formula calculation.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test Issue 3415534.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test Issue3433771: Bad definition for Crippen atom type O11.
+111: [20:54:42]   done
+111: [20:54:42] -------------------------------------
+111: [20:54:42]     Test multithreading
 111: reading molecules
+100/235 Test #110: pyFragCatalog ..........................   Passed    0.50 sec
+test 112
+        Start 112: testAUTOCORR2D
+
+112: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
+112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+112: Test timeout computed to be: 1500
 111: processing
 111:  launch :0
 111:  launch :1
 111:  launch :2
 111:  launch :3
-101/235 Test #110: pyFragCatalog ..........................   Passed    0.23 sec
-test 113
-        Start 113: testATF
-
-113: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF
-113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-113: Test timeout computed to be: 1500
-102/235 Test #113: testATF ................................   Passed    0.05 sec
-test 114
-        Start 114: testBCUT
-
-114: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
-114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-114: Test timeout computed to be: 1500
-109: [00:53:09] 
+112: [20:54:42] ----------------------------
+112: start test autocorr2D
+109: [20:54:42] 
 109: 
 109: ****
 109: Invariant Violation
@@ -24261,17 +24264,17 @@
 109: Stacktrace:
 109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x0000FFFF82701948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  2# 0x0000FFFF8B911948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
 109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x0000AAAAAF907ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x0000AAAAAF9049E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x0000FFFF81CD229C in /lib/aarch64-linux-gnu/libc.so.6
+109:  4# 0x0000AAAAE8637ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x0000AAAAE86349E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x0000FFFF8AEE229C in /lib/aarch64-linux-gnu/libc.so.6
 109:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-109:  8# 0x0000AAAAAF904BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  8# 0x0000AAAAE8634BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
 109: ----------
 109: ****
 109: 
-109: [00:53:09] 
+109: [20:54:42] 
 109: 
 109: ****
 109: Invariant Violation
@@ -24282,17 +24285,17 @@
 109: Stacktrace:
 109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x0000FFFF82701948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  2# 0x0000FFFF8B911948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
 109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x0000AAAAAF907ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x0000AAAAAF9049E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x0000FFFF81CD229C in /lib/aarch64-linux-gnu/libc.so.6
+109:  4# 0x0000AAAAE8637ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x0000AAAAE86349E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x0000FFFF8AEE229C in /lib/aarch64-linux-gnu/libc.so.6
 109:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-109:  8# 0x0000AAAAAF904BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  8# 0x0000AAAAE8634BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
 109: ----------
 109: ****
 109: 
-109: [00:53:09] 
+109: [20:54:42] 
 109: 
 109: ****
 109: Invariant Violation
@@ -24303,771 +24306,797 @@
 109: Stacktrace:
 109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x0000FFFF82701948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  2# 0x0000FFFF8B911948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
 109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x0000AAAAAF907ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x0000AAAAAF9049E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x0000FFFF81CD229C in /lib/aarch64-linux-gnu/libc.so.6
+109:  4# 0x0000AAAAE8637ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x0000AAAAE86349E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x0000FFFF8AEE229C in /lib/aarch64-linux-gnu/libc.so.6
 109:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-109:  8# 0x0000AAAAAF904BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  8# 0x0000AAAAE8634BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
 109: ----------
 109: ****
 109: 
-103/235 Test #109: testFragCatalog ........................   Passed    0.45 sec
+101/235 Test #109: testFragCatalog ........................   Passed    0.82 sec
+test 113
+        Start 113: testATF
+
+113: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF
+113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+113: Test timeout computed to be: 1500
+102/235 Test #113: testATF ................................   Passed    0.03 sec
+test 114
+        Start 114: testBCUT
+
+114: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
+114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+114: Test timeout computed to be: 1500
+114: [20:54:42] -------------------------------------
+114: [20:54:42]     Basic BCUT tests.
+114: [20:54:42]   done
+114: [20:54:42] -------------------------------------
+114: [20:54:42]     Larger BCUT tests.
+98: .
+98: ----------------------------------------------------------------------
+98: Ran 11 tests in 2.121s
+98: 
+98: OK
+98: True
+98: == CartesianProductStrategy CartesianProductStrategy
+98: 197 out of 300
+98: 0 6 out of 10
+98: 1 3 out of 5
+98: 2 4 out of 6
+98: 198 out of 300
+98: 0 10 out of 10
+98: 1 5 out of 5
+98: 2 6 out of 6
+98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0xffff7d7a1d50> Skipped 10000000 in 0.15360522270202637 seconds
+98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0xffff7d7a1cb0> Skipped 10000000 in 1.099945306777954 seconds
+98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0xffff7d7a1f80> Skipped 10000000 in 0.2500944137573242 seconds
+112: [20:54:42]   done
+112: [20:54:42] -------------------------------------
+112: [20:54:42]     Test Github #3806: NaNs from AUTOCORR2D descriptor
+112: [20:54:42]   done
+103/235 Test #112: testAUTOCORR2D .........................   Passed    0.62 sec
 test 115
         Start 115: testEEM
 
 115: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testEEM
 115: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 115: Test timeout computed to be: 1500
-114: [00:53:09] -------------------------------------
-114: [00:53:09]     Basic BCUT tests.
-114: [00:53:09]   done
-114: [00:53:09] -------------------------------------
-114: [00:53:09]     Larger BCUT tests.
 115: =>start test EEM
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 115: 0
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-112: [00:53:09]   done
-112: [00:53:09] -------------------------------------
-112: [00:53:09]     Test Github #3806: NaNs from AUTOCORR2D descriptor
-112: [00:53:09]   done
-104/235 Test #112: testAUTOCORR2D .........................   Passed    0.24 sec
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104/235 Test  #98: pyChemReactionEnumerations .............   Passed    3.04 sec
 test 116
         Start 116: testPBF
 
 116: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testPBF
 116: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 116: Test timeout computed to be: 1500
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [00:53:09] -------------------------------------
-116: [00:53:09]     Basic PBF tests.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+116: [20:54:43] -------------------------------------
+116: [20:54:43]     Basic PBF tests.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 115: 100
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [00:53:09]   done
-116: [00:53:09] -------------------------------------
-116: [00:53:09]     PBF edge cases.
-116: [00:53:09]   done
-105/235 Test #116: testPBF ................................   Passed    0.11 sec
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+108: .............[20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+108: [20:54:43] SMILES Parse Error: syntax error while parsing: ---
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] ---
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:54:43] dasfsadf
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 200
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 300
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+108: .[20:54:43] SMILES Parse Error: syntax error while parsing: mydoghasfleas
+108: [20:54:43] SMILES Parse Error: check for mistakes around position 1:
+108: [20:54:43] mydoghasfleas
+108: [20:54:43] ^
+108: [20:54:43] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
+115: 400
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+116: [20:54:43]   done
+116: [20:54:43] -------------------------------------
+116: [20:54:43]     PBF edge cases.
+116: [20:54:43]   done
+105/235 Test #116: testPBF ................................   Passed    0.37 sec
 test 117
         Start 117: testRDFcustom
 
 117: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
 117: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 117: Test timeout computed to be: 1500
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 200
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-29: All 191 tests passed
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 300
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 400
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-114: [00:53:10] -------------------------------------
-114: [00:53:10]     Test empty molecule BCUT.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-106/235 Test #114: testBCUT ...............................   Passed    0.58 sec
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:54:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: Elapsed time: 0.493619 s
+115: Errors:0
+115: [20:54:43] test on : 500 molecules done
+114: [20:54:43] -------------------------------------
+114: [20:54:43]     Test empty molecule BCUT.
+106/235 Test #114: testBCUT ...............................   Passed    0.90 sec
+107/235 Test #115: testEEM ................................   Passed    0.54 sec
 test 118
         Start 118: testRDF
 
 118: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDF
 118: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 118: Test timeout computed to be: 1500
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: Elapsed time: 0.575081 s
-115: Errors:0
-115: [00:53:10] test on : 500 molecules done
-107/235 Test #115: testEEM ................................   Passed    0.61 sec
 test 119
         Start 119: testMORSE
 
 119: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
 119: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 119: Test timeout computed to be: 1500
-117: =>start test rdf custom
-117: [00:53:10] test on : 365 molecules done
-108: .............[00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] ---
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [00:53:10] dasfsadf
-108: .[00:53:10] SMILES Parse Error: syntax error while parsing: mydoghasfleas
-108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
-108: [00:53:10] mydoghasfleas
-108: [00:53:10] ^
-108: [00:53:10] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
 108: .......
 108: ----------------------------------------------------------------------
-108: Ran 21 tests in 1.006s
+108: Ran 21 tests in 1.696s
 108: 
 108: OK
 108: (Five aromatic carbons And (Not any of Five aromatic carbons))
@@ -25089,70 +25118,68 @@
 108: 1
 108: 2
 108: running
-108/235 Test #108: pyFilterCatalog ........................   Passed    1.46 sec
+108/235 Test #108: pyFilterCatalog ........................   Passed    2.25 sec
 test 120
         Start 120: test3D
 
 120: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/test3D
 120: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 120: Test timeout computed to be: 1500
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     Basic PMI tests.
+120: [20:54:43] -------------------------------------
+120: [20:54:43]     Basic PMI tests.
+117: =>start test rdf custom
+117: [20:54:44] test on : 365 molecules done
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     More PMI/NPR tests.
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     Basic NPR tests.
 118: =>start test rdf
-118: [00:53:10] test on : 365 molecules done
-109/235 Test #118: testRDF ................................   Passed    0.58 sec
+118: [20:54:44] test on : 365 molecules done
+109/235 Test #118: testRDF ................................   Passed    0.88 sec
 test 121
         Start 121: testWHIM
 
 121: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
 121: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 121: Test timeout computed to be: 1500
-117: =>start test morse custom
-117: [00:53:10] test on : 365 molecules done
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     More PMI/NPR tests.
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     Basic NPR tests.
 119: =>start test MORSE
 119: =>read file
-119: [00:53:10] test on : 365 molecules done
-110/235 Test #119: testMORSE ..............................   Passed    0.65 sec
+119: [20:54:44] test on : 365 molecules done
+110/235 Test #119: testMORSE ..............................   Passed    1.03 sec
 test 122
         Start 122: testGETAWAY
 
 122: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
 122: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 122: Test timeout computed to be: 1500
-117: =>start test AUTOCORR3D custom
-117: [00:53:10] test on : 365 molecules done
-121: =>start test WHIM
-121: [00:53:10] test on : 365 molecules done
-111/235 Test #121: testWHIM ...............................   Passed    0.27 sec
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     PMI edge cases.
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     NPR edge cases.
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     3D descriptors.
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     3D descriptor edge cases.
+120: [20:54:44]   done
+120: [20:54:44] -------------------------------------
+120: [20:54:44]     Inertial shape factor.
+120: [20:54:44]   done
+111/235 Test #120: test3D .................................   Passed    1.00 sec
 test 123
         Start 123: testAUTOCORR3D
 
 123: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D
 123: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 123: Test timeout computed to be: 1500
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     PMI edge cases.
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     NPR edge cases.
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     3D descriptors.
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     3D descriptor edge cases.
-120: [00:53:10]   done
-120: [00:53:10] -------------------------------------
-120: [00:53:10]     Inertial shape factor.
-120: [00:53:10]   done
-112/235 Test #120: test3D .................................   Passed    0.43 sec
+121: =>start test WHIM
+121: [20:54:44] test on : 365 molecules done
+112/235 Test #121: testWHIM ...............................   Passed    0.60 sec
 test 124
         Start 124: testCoulombMat
 
@@ -25161,151 +25188,154 @@
 124: Test timeout computed to be: 1500
 124: ===================== Testing CoulombMat  =======================
 124: CM test 1 mat Done
-113/235 Test #124: testCoulombMat .........................   Passed    0.03 sec
+113/235 Test #124: testCoulombMat .........................   Passed    0.07 sec
 test 125
         Start 125: descriptorsTestCatch
 
 125: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
 125: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 125: Test timeout computed to be: 1500
-117: =>start test 2 WHIM custom
-117: [00:53:11] test on : 365 molecules done
-125: Randomness seeded to: 1126867231
+75: [20:54:45] Finished: testSmiCorrectness()
+75: [20:54:45] -----------------------------------------
+75: 
+75: [20:54:45] 
+75: -----------------------------------------
+125: Randomness seeded to: 1382987578
 125: Warning: Atom Count for residue GLU5A does not match expected count
+117: =>start test morse custom
+117: [20:54:45] test on : 365 molecules done
 125: Warning: Atom Count for residue ASN39A does not match expected count
 125: Warning: Atom Count for residue GLU53A does not match expected count
 125: Warning: Atom Count for residue ARG64A does not match expected count
 125: Warning: Atom Count for residue LYS80A does not match expected count
 125: Warning: Atom Count for residue GLU150A does not match expected count
 125: Warning: Atom Count for residue ASN157A does not match expected count
+75: [20:54:45] Spurious data before the first property will be ignored
+75: [20:54:45] Property <ID> will be truncated after the first blank line
+75: [20:54:45] Property <ID> will be truncated after the first blank line
+75: [20:54:45] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
 125: Warning: Atom Count for residue GLU5A does not match expected count
 123: =>start test autocorr3D
-123: [00:53:11] test on : 365 molecules done
-114/235 Test #123: testAUTOCORR3D .........................   Passed    0.22 sec
+123: [20:54:45] test on : 365 molecules done
+114/235 Test #123: testAUTOCORR3D .........................   Passed    0.54 sec
 test 126
         Start 126: pyMolDescriptors
 
 126: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
 126: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 126: Test timeout computed to be: 1500
-117: =>start test 1 WHIM custom
-117: [00:53:11] test on : 365 molecules done
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Issue252: Bad definitions for Crippen atom types.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of ChiVs.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of ChiNs.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of HallKierAlpha.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of Kappa1.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of Kappa2.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of Kappa3.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Crippen atom type calculations.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test ring descriptors
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test other count descriptors.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test MQN
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test GitHub Issue 56.
-111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
-111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
-111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
-111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Github92: Bad Crippen atom type for pyrrole H.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Github362: order dependence  in Kier-Hall descriptors.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test calculation of spiro and bridgehead counts.
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Github694: ExactMolWt ignoring the mass of the electron
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Testing Properties and KitchenSink
-111: [00:53:11] ---Caught keyerror (bad property name)---
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test USR Descriptor
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Github #1973: support P and S terms for TPSA calculation
-111: [00:53:11]   done
-111: [00:53:11] -------------------------------------
-111: [00:53:11]     Test Github #2948: Empty molecule has non-zero LabuteASA
-111: [00:53:11]   done
-115/235 Test #111: testDescriptors ........................   Passed    1.91 sec
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Issue252: Bad definitions for Crippen atom types.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of ChiVs.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of ChiNs.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of HallKierAlpha.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of Kappa1.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of Kappa2.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of Kappa3.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Crippen atom type calculations.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test ring descriptors
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test other count descriptors.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test MQN
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test GitHub Issue 56.
+111: [20:54:45] WARNING: not removing hydrogen atom without neighbors
+111: [20:54:45] WARNING: not removing hydrogen atom without neighbors
+111: [20:54:45] WARNING: not removing hydrogen atom without neighbors
+111: [20:54:45] WARNING: not removing hydrogen atom without neighbors
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Github92: Bad Crippen atom type for pyrrole H.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Github362: order dependence  in Kier-Hall descriptors.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test calculation of spiro and bridgehead counts.
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Github694: ExactMolWt ignoring the mass of the electron
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Testing Properties and KitchenSink
+111: [20:54:45] ---Caught keyerror (bad property name)---
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test USR Descriptor
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Github #1973: support P and S terms for TPSA calculation
+111: [20:54:45]   done
+111: [20:54:45] -------------------------------------
+111: [20:54:45]     Test Github #2948: Empty molecule has non-zero LabuteASA
+111: [20:54:45]   done
+115/235 Test #111: testDescriptors ........................   Passed    3.75 sec
 test 127
         Start 127: pyMolDescriptors3D
 
 127: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/test3D.py"
 127: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 127: Test timeout computed to be: 1500
+117: =>start test AUTOCORR3D custom
+117: [20:54:45] test on : 365 molecules done
 125: Warning: Atom Count for residue ASN39A does not match expected count
-125: Warning: Atom Count for residue GLU53A does not match expected count
-75: [00:53:11] Finished: testSmiCorrectness()
-75: [00:53:11] -----------------------------------------
-75: 
-75: [00:53:11] 
-75: -----------------------------------------
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ..[00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: ..[00:53:11] 
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:45] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ..[20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:45] DEPRECATION WARNING: please use AtomPairGenerator
+126: ..[20:54:46] 
 126: 
 126: ****
 126: Pre-condition Violation
@@ -25317,10 +25347,10 @@
 126:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 126:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 126:  2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector<double, std::allocator<double> > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitDescriptors.so.1
-126:  3# 0x0000FFFF8DDFD098 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
-126:  4# 0x0000FFFF8DE11350 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
+126:  3# 0x0000FFFF9A45D098 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
+126:  4# 0x0000FFFF9A471350 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
 126:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-126:  6# 0x0000FFFF91C72680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+126:  6# 0x0000FFFF9E2D2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 126:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 126:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 126:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
@@ -25331,17 +25361,17 @@
 126: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 126: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 126: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-126: 17# 0x0000FFFF9024B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-126: 18# 0x0000FFFF9024B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-126: 19# 0x0000FFFF9024B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-126: 20# 0x0000FFFF9024B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-126: 21# 0x0000FFFF9024B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+126: 17# 0x0000FFFF9C8AB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+126: 18# 0x0000FFFF9C8AB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+126: 19# 0x0000FFFF9C8AB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+126: 20# 0x0000FFFF9C8AB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+126: 21# 0x0000FFFF9C8AB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 126: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 126: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 126: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 126: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 126: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-126: 27# 0x0000FFFF91C6F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+126: 27# 0x0000FFFF9E2CF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 126: 28# _PyObject_MakeTpCall in /usr/bin/python3
 126: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
 126: 30# 0x0000000000531670 in /usr/bin/python3
@@ -25373,12 +25403,22 @@
 126: 56# 0x0000000000624DCC in /usr/bin/python3
 126: 57# Py_RunMain in /usr/bin/python3
 126: 58# Py_BytesMain in /usr/bin/python3
-126: 59# 0x0000FFFF9257229C in /lib/aarch64-linux-gnu/libc.so.6
+126: 59# 0x0000FFFF9EBD229C in /lib/aarch64-linux-gnu/libc.so.6
 126: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 126: 61# _start in /usr/bin/python3
 126: ----------
 126: ****
 126: 
+75: [20:54:46] Finished: testSDCorrectness()
+75: [20:54:46] -----------------------------------------
+75: 
+116/235 Test  #75: testMultithreadedMolSupplier ...........   Passed    8.19 sec
+test 128
+        Start 128: testFingerprints
+
+128: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints
+128: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
+128: Test timeout computed to be: 1500
 126: ...Warning: Atom Count for residue GLU5A does not match expected count
 126: Warning: Atom Count for residue ASN39A does not match expected count
 126: Warning: Atom Count for residue GLU53A does not match expected count
@@ -25386,25 +25426,8 @@
 126: Warning: Atom Count for residue LYS80A does not match expected count
 126: Warning: Atom Count for residue GLU150A does not match expected count
 126: Warning: Atom Count for residue ASN157A does not match expected count
-125: Warning: Atom Count for residue ARG64A does not match expected count
-75: [00:53:11] Spurious data before the first property will be ignored
-75: [00:53:11] Property <ID> will be truncated after the first blank line
-75: [00:53:11] Property <ID> will be truncated after the first blank line
-75: [00:53:11] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-126: Warning: Atom Count for residue GLU5A does not match expected count
-125: Warning: Atom Count for residue LYS80A does not match expected count
-127: ........
-127: ----------------------------------------------------------------------
-127: Ran 8 tests in 0.109s
-127: 
-127: OK
-116/235 Test #127: pyMolDescriptors3D .....................   Passed    0.41 sec
-test 128
-        Start 128: testFingerprints
-
-128: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints
-128: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
-128: Test timeout computed to be: 1500
+117: =>start test 2 WHIM custom
+117: [20:54:46] test on : 365 molecules done
 128: 
 128: 
 128: 
@@ -25888,609 +25911,619 @@
 128: 
 128: -------------------
 128: 
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Morgan Fingerprints.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Morgan Fingerprints using fromAtoms argument.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Morgan Fingerprints as bit vects.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Morgan Fingerprints with feature invariants.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test additional Morgan fingerprints options.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Atom Codes.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Atom Pairs.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Atom Pairs part 2.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Topological Torsions.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Bulk Topological Torsions.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: Warning: Atom Count for residue ASN39A does not match expected count
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Hashed Atom Pairs.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Hashed torsions.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Rooted Atom Pairs.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test ignoring atoms in Atom Pairs.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Rooted Topological Torsions.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test ignoring atoms in Topological Torsions.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test atom info from morgan fingerprints.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test atom info from morgan fingerprints including Info Redundant Environments.
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11] -------------------------------------
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] -------------------------------------
-128: [00:53:11] -------------------------------------
-128: [00:53:11] -------------------------------------
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Atom Pairs including info about chirality.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test Topological Torsions including info about chirality.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test GitHub Issue 25: fingerprint backwards compatibility.
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test GitHub Issue 151: PatternFingerprint problems
-126: Warning: Atom Count for residue GLU53A does not match expected count
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test 3D atom pairs.
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
-128: [00:53:11]   done
-128: [00:53:11] -------------------------------------
-128: [00:53:11]     Test multithreading with the pattern FP
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Morgan Fingerprints.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Morgan Fingerprints using fromAtoms argument.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Morgan Fingerprints as bit vects.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Morgan Fingerprints with feature invariants.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test additional Morgan fingerprints options.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Atom Codes.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Atom Pairs.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Atom Pairs part 2.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Topological Torsions.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Bulk Topological Torsions.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: Warning: Atom Count for residue GLU5A does not match expected count
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+125: Warning: Atom Count for residue GLU53A does not match expected count
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Hashed Atom Pairs.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Hashed torsions.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Rooted Atom Pairs.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test ignoring atoms in Atom Pairs.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Rooted Topological Torsions.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test ignoring atoms in Topological Torsions.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test atom info from morgan fingerprints.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test atom info from morgan fingerprints including Info Redundant Environments.
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46] -------------------------------------
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] -------------------------------------
+128: [20:54:46] -------------------------------------
+128: [20:54:46] -------------------------------------
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Atom Pairs including info about chirality.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test Topological Torsions including info about chirality.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test GitHub Issue 25: fingerprint backwards compatibility.
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test GitHub Issue 151: PatternFingerprint problems
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test 3D atom pairs.
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
+128: [20:54:46]   done
+128: [20:54:46] -------------------------------------
+128: [20:54:46]     Test multithreading with the pattern FP
 128: reading molecules
 128: pass 1
 128:  launch :0
 128:  launch :1
 128:  launch :2
 128:  launch :3
-126: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue LYS80A does not match expected count
+125: Warning: Atom Count for residue ARG64A does not match expected count
+117: =>start test 1 WHIM custom
+117: [20:54:46] test on : 365 molecules done
 128: pass 2
 128:  launch :0
 128:  launch :1
 128:  launch :2
 128:  launch :3
-125: Warning: Atom Count for residue GLU150A does not match expected count
-117: =>start test GETAWAY custom
-117: [00:53:12] test on : 365 molecules done
-117/235 Test #117: testRDFcustom ..........................   Passed    2.42 sec
+127: ........
+127: ----------------------------------------------------------------------
+127: Ran 8 tests in 0.331s
+127: 
+127: OK
+126: Warning: Atom Count for residue ASN39A does not match expected count
+125: Warning: Atom Count for residue LYS80A does not match expected count
+117/235 Test #127: pyMolDescriptors3D .....................   Passed    1.13 sec
 test 129
         Start 129: testMHFPFingerprint
 
 129: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
 129: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 129: Test timeout computed to be: 1500
-125: Warning: Atom Count for residue ASN157A does not match expected count
-129: [00:53:12] -------------------------------------
-129: [00:53:12] Test MHFP fingerprint encoder initialization
+126: Warning: Atom Count for residue GLU53A does not match expected count
+129: [20:54:46] -------------------------------------
+129: [20:54:46] Test MHFP fingerprint encoder initialization
+129: [20:54:46]   done
+129: [20:54:46] -------------------------------------
+129: [20:54:46] Test MHFP shingling creation
 122: =>start test GETAWAY
-122: [00:53:12] test on : 365 molecules done
-118/235 Test #122: testGETAWAY ............................   Passed    1.37 sec
+122: [20:54:46] test on : 365 molecules done
+118/235 Test #122: testGETAWAY ............................   Passed    2.35 sec
 test 130
         Start 130: testFingerprintGenerators
 
 130: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
 130: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 130: Test timeout computed to be: 1500
-129: [00:53:12]   done
-129: [00:53:12] -------------------------------------
-129: [00:53:12] Test MHFP shingling creation
-129: [00:53:12]   done
-129: [00:53:12] -------------------------------------
-129: [00:53:12] Test MHFP hashing of string and uint arrays
-129: [00:53:12]   done
-129: [00:53:12] -------------------------------------
-129: [00:53:12] Test SECFP fingerprint functionality
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test atom-pair fp generator
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test atom-pair fp generator with different arguments
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-129: [00:53:12]   done
-119/235 Test #129: testMHFPFingerprint ....................   Passed    0.05 sec
+129: [20:54:46]   done
+129: [20:54:46] -------------------------------------
+129: [20:54:46] Test MHFP hashing of string and uint arrays
+129: [20:54:46]   done
+129: [20:54:46] -------------------------------------
+129: [20:54:46] Test SECFP fingerprint functionality
+129: [20:54:46]   done
+119/235 Test #129: testMHFPFingerprint ....................   Passed    0.13 sec
 test 131
         Start 131: fpTestCatch
 
 131: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
 131: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 131: Test timeout computed to be: 1500
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test atom-pair additional output
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Folded Atom Pairs.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Rooted Atom Pairs.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test ignoring atoms in Atom Pairs.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Atom Pairs including info about chirality.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Morgan Fingerprints.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test morgan fp generator
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Morgan Fingerprints using fromAtoms argument.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Morgan Fingerprints as bit vects.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Morgan Fingerprints with feature invariants.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test additional Morgan fingerprints options.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Single atoms setting radius 1 bits in Morgan fingerprints  
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test different invariant generator combinations
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test invariant overriding
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test RDKit fp generator
-131: Randomness seeded to: 3608859418
+126: Warning: Atom Count for residue ARG64A does not match expected count
+130: [20:54:46] -------------------------------------
+130: [20:54:46] Test atom-pair fp generator
+130: [20:54:46]   done
+130: [20:54:46] -------------------------------------
+130: [20:54:46] Test atom-pair fp generator with different arguments
+130: [20:54:46]   done
+130: [20:54:46] -------------------------------------
+130: [20:54:46] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:46] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:47] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47] Test atom-pair additional output
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Folded Atom Pairs.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Rooted Atom Pairs.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test ignoring atoms in Atom Pairs.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Atom Pairs including info about chirality.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Morgan Fingerprints.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47] Test morgan fp generator
+131: Randomness seeded to: 1002404312
 131: ===============================================================================
 131: All tests passed (188 assertions in 16 test cases)
 131: 
-120/235 Test #131: fpTestCatch ............................   Passed    0.03 sec
+120/235 Test #131: fpTestCatch ............................   Passed    0.07 sec
 test 132
         Start 132: fpGenTestCatch
 
 132: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
 132: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 132: Test timeout computed to be: 1500
-132: Randomness seeded to: 1115994835
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Morgan Fingerprints using fromAtoms argument.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Morgan Fingerprints as bit vects.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Morgan Fingerprints with feature invariants.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test additional Morgan fingerprints options.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Single atoms setting radius 1 bits in Morgan fingerprints  
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47] Test different invariant generator combinations
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47] Test invariant overriding
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47] Test RDKit fp generator
+126: Warning: Atom Count for residue LYS80A does not match expected count
+132: Randomness seeded to: 4191200153
 132: ===============================================================================
 132: All tests passed (2737 assertions in 7 test cases)
 132: 
-121/235 Test #132: fpGenTestCatch .........................   Passed    0.12 sec
+121/235 Test #132: fpGenTestCatch .........................   Passed    0.22 sec
 test 133
         Start 133: pyTestGenerator
 
 133: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testGenerators.py"
 133: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 133: Test timeout computed to be: 1500
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test unfolded version of RDKFP   
-130: [00:53:12] -------------------------------------
-130: [00:53:12] Test topological torsion fp generator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Topological Torsions.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Folded torsions.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Bulk Topological Torsions.
-75: [00:53:12] Finished: testSDCorrectness()
-75: [00:53:12] -----------------------------------------
-75: 
-122/235 Test  #75: testMultithreadedMolSupplier ...........   Passed    5.32 sec
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test unfolded version of RDKFP   
+130: [20:54:47] -------------------------------------
+130: [20:54:47] Test topological torsion fp generator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Topological Torsions.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Folded torsions.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Bulk Topological Torsions.
+29: All 191 tests passed
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Rooted Topological Torsions.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test ignoring atoms in Topological Torsions.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test Topological Torsions including info about chirality.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test GitHub Issue 25: fingerprint backwards compatibility.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+130: [20:54:47]   done
+130: [20:54:47] -------------------------------------
+130: [20:54:47]     Test convenience and bulk fp calculation functions
+125: Warning: Atom Count for residue GLU150A does not match expected count
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
+125: Warning: Atom Count for residue ASN157A does not match expected count
+133: ..............
+133: ----------------------------------------------------------------------
+133: Ran 14 tests in 0.253s
+133: 
+133: OK
+126: Warning: Atom Count for residue GLU150A does not match expected count
+126: Warning: Atom Count for residue ASN157A does not match expected count
+122/235 Test #133: pyTestGenerator ........................   Passed    0.93 sec
 test 134
         Start 134: pyTestMHFP
 
 134: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testMHFP.py"
 134: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 134: Test timeout computed to be: 1500
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Rooted Topological Torsions.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test ignoring atoms in Topological Torsions.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test Topological Torsions including info about chirality.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test GitHub Issue 25: fingerprint backwards compatibility.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test convenience and bulk fp calculation functions
-126: Warning: Atom Count for residue GLU150A does not match expected count
-134: ..
-134: ----------------------------------------------------------------------
-134: Ran 2 tests in 0.018s
-134: 
-134: OK
-126: Warning: Atom Count for residue ASN157A does not match expected count
-123/235 Test #134: pyTestMHFP .............................   Passed    0.22 sec
+130: [20:54:48]   done
+130: [20:54:48] -------------------------------------
+130: [20:54:48]     Test GitHub Issue #6958
+130: [20:54:48] DEPRECATION WARNING: please use AtomPairGenerator
+123/235 Test #130: testFingerprintGenerators ..............   Passed    1.53 sec
 test 135
         Start 135: testPartialCharges
 
 135: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges
 135: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges
 135: Test timeout computed to be: 1500
-124/235 Test #135: testPartialCharges .....................   Passed    0.02 sec
+124/235 Test #135: testPartialCharges .....................   Passed    0.04 sec
 test 136
         Start 136: pyPartialCharges
 
 136: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py"
 136: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap
 136: Test timeout computed to be: 1500
-130: [00:53:12]   done
-130: [00:53:12] -------------------------------------
-130: [00:53:12]     Test GitHub Issue #6958
-130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
-125/235 Test #130: testFingerprintGenerators ..............   Passed    0.69 sec
+134: ..
+134: ----------------------------------------------------------------------
+134: Ran 2 tests in 0.047s
+134: 
+134: OK
+125/235 Test #134: pyTestMHFP .............................   Passed    0.53 sec
 test 137
         Start 137: testMolTransforms
 
 137: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms
 137: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms
 137: Test timeout computed to be: 1500
-133: ..............
-133: ----------------------------------------------------------------------
-133: Ran 14 tests in 0.204s
-133: 
-133: OK
 137: ***********************************************************
 137: Testing MolTransforms
 137: 	---------------------------------
@@ -26528,63 +26561,118 @@
 138: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch
 138: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms
 138: Test timeout computed to be: 1500
-138: Randomness seeded to: 1450000069
+138: Randomness seeded to: 533754483
 138: ===============================================================================
 138: All tests passed (4 assertions in 1 test case)
 138: 
-127/235 Test #138: molTransformsTestCatch .................   Passed    0.04 sec
+127/235 Test #138: molTransformsTestCatch .................   Passed    0.05 sec
 test 139
         Start 139: pyMolTransforms
 
 139: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py"
 139: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap
 139: Test timeout computed to be: 1500
-128/235 Test #133: pyTestGenerator ........................   Passed    0.65 sec
+117: =>start test GETAWAY custom
+117: [20:54:49] test on : 365 molecules done
+128/235 Test #117: testRDFcustom ..........................   Passed    5.59 sec
 test 140
         Start 140: forceFieldHelpersCatch
 
 140: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch
 140: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers
 140: Test timeout computed to be: 1500
-136: .......
-136: ----------------------------------------------------------------------
-136: Ran 7 tests in 0.054s
-136: 
-136: OK
-140: Randomness seeded to: 223217602
+140: Randomness seeded to: 3544463256
 140: ===============================================================================
 140: All tests passed (17 assertions in 2 test cases)
 140: 
-129/235 Test #136: pyPartialCharges .......................   Passed    0.37 sec
+129/235 Test #140: forceFieldHelpersCatch .................   Passed    0.05 sec
 test 141
         Start 141: testMMFFForceFieldHelpers
 
 141: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
 141: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 141: Test timeout computed to be: 1500
-130/235 Test #140: forceFieldHelpersCatch .................   Passed    0.07 sec
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Test MMFF atom types.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing MMFF builder tools.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing MMFF builder+minimization.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing Issue239.
+136: .......
+136: ----------------------------------------------------------------------
+136: Ran 7 tests in 0.184s
+136: 
+136: OK
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing calcEnergy with passed coords.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing calcGrad.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing Issue242.
+139: ........
+139: ----------------------------------------------------------------------
+139: Ran 8 tests in 0.080s
+139: 
+139: OK
+81: ===============================================================================
+81: All tests passed (1601 assertions in 100 test cases)
+81: 
+130/235 Test  #81: fileParsersCatchTest ...................   Passed   11.09 sec
 test 142
         Start 142: testMMFFForceFieldHelpersMultiThread
 
 142: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread
 142: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 142: Test timeout computed to be: 1500
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Test MMFF atom types.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing MMFF builder tools.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing MMFF builder+minimization.
-142: [00:53:13] -------------------------------------
-142: [00:53:13]     Test MMFF multithreading
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing Issue239.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing calcEnergy with passed coords.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing github 308: crash during MMFF parameterization .
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing SFIssue1653802.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Testing SFIssue2378119.
+141: [20:54:49]   done
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Test MMFF force-field parameter getters.
+141: [20:54:49] -------------------------------------
+141: [20:54:49]     Test MMFF multithreading
+131/235 Test #136: pyPartialCharges .......................   Passed    0.98 sec
+test 143
+        Start 143: testUFFForceFieldHelpers
+
+143: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
+143: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
+143: Test timeout computed to be: 1500
+141: generating reference data
+142: [20:54:49] -------------------------------------
+142: [20:54:49]     Test MMFF multithreading
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Test UFF atom labels.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Test UFF atom typer.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing UFF builder tools.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing UFF builder+minimization.
+132/235 Test #139: pyMolTransforms ........................   Passed    0.77 sec
+test 144
+        Start 144: testCrystalForceField
+
+144: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
+144: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
+144: Test timeout computed to be: 1500
 142: processing
 142:  launch :0
 142:  launch :1
@@ -26610,538 +26698,444 @@
 142:  launch :21
 142:  launch :22
 142:  launch :23
-81: ===============================================================================
-81: All tests passed (1601 assertions in 100 test cases)
-81: 
-131/235 Test  #81: fileParsersCatchTest ...................   Passed    5.77 sec
-test 143
-        Start 143: testUFFForceFieldHelpers
-
-143: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
-143: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
-143: Test timeout computed to be: 1500
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing calcGrad.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing Issue242.
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Test UFF atom labels.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Test UFF atom typer.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing UFF builder tools.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing UFF builder+minimization.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing github 308: crash during MMFF parameterization .
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing SFIssue1653802.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Testing SFIssue2378119.
-141: [00:53:13]   done
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Test MMFF force-field parameter getters.
-141: [00:53:13] -------------------------------------
-141: [00:53:13]     Test MMFF multithreading
-141: generating reference data
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing UFF special cases.
-143: [00:53:13] UFFTYPER: Unrecognized charge state for atom: 0
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing Issue239.
-29: All 191 tests passed
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing calcEnergy with passed coords.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing calcGrad.
-139: ........
-139: ----------------------------------------------------------------------
-139: Ran 8 tests in 0.196s
-139: 
-139: OK
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing SFIssue1653802.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing SFIssue2378119.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Test UFF force-field parameter getters.
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing handling missing parameters.
-143: [00:53:13] UFFTYPER: Unrecognized hybridization for atom: 0
-143: [00:53:13] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-143: [00:53:13] UFFTYPER: Unrecognized hybridization for atom: 0
-143: [00:53:13] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Testing SFIssue3009337.
-143: [00:53:13]   done
-143: [00:53:13] -------------------------------------
-143: [00:53:13]     Test UFF multithreading
-143: generating reference data
-132/235 Test #139: pyMolTransforms ........................   Passed    0.47 sec
-test 144
-        Start 144: testCrystalForceField
-
-144: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
-144: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
-144: Test timeout computed to be: 1500
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
 144: -------------------------------------
 144:  Test CrystalFF torsional term.
-141: processing
-141:  launch :0
-141:  launch :1
-141:  launch :2
-141:  launch :3
-142: done
-141: [00:53:13] Rep: 0 Mol:0
-141: [00:53:13] Rep: 0 Mol:2
-141: [00:53:13] Rep: 0 Mol:3
-141: [00:53:13] Rep: 0 Mol:1
-142: [00:53:13]   done
-141: [00:53:13] Rep: 0 Mol:4
-141: [00:53:13] Rep: 0 Mol:5
-141: [00:53:13] Rep: 0 Mol:9
-141: [00:53:13] Rep: 0 Mol:6
-141: [00:53:13] Rep: 0 Mol:10
-141: [00:53:13] Rep: 0 Mol:13
-133/235 Test #144: testCrystalForceField ..................   Passed    0.08 sec
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing UFF special cases.
+143: [20:54:49] UFFTYPER: Unrecognized charge state for atom: 0
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing Issue239.
+133/235 Test #144: testCrystalForceField ..................   Passed    0.22 sec
 test 145
         Start 145: pyForceFieldHelpers
 
 145: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py"
 145: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap
 145: Test timeout computed to be: 1500
-141: [00:53:13] Rep: 0 Mol:17
-143: processing
-143:  launch :0
-143:  launch :1
-143:  launch :2
-143:  launch :3
-143: [00:53:13] Rep: 0 Mol:3
-143: [00:53:13] Rep: 0 Mol:1
-143: [00:53:13] Rep: 0 Mol:5
-143: [00:53:13] Rep: 0 Mol:9
-141: [00:53:13] Rep: 0 Mol:8
-143: [00:53:13] Rep: 0 Mol:2
-134/235 Test #142: testMMFFForceFieldHelpersMultiThread ...   Passed    0.44 sec
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing calcEnergy with passed coords.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing calcGrad.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing SFIssue1653802.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing SFIssue2378119.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Test UFF force-field parameter getters.
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing handling missing parameters.
+143: [20:54:49] UFFTYPER: Unrecognized hybridization for atom: 0
+143: [20:54:49] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+143: [20:54:49] UFFTYPER: Unrecognized hybridization for atom: 0
+143: [20:54:49] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Testing SFIssue3009337.
+143: [20:54:49]   done
+143: [20:54:49] -------------------------------------
+143: [20:54:49]     Test UFF multithreading
+143: generating reference data
+142: done
+142: [20:54:49]   done
+141: processing
+141:  launch :0
+141:  launch :1
+141:  launch :2
+141:  launch :3
+134/235 Test #142: testMMFFForceFieldHelpersMultiThread ...   Passed    0.58 sec
 test 146
         Start 146: testDistGeomHelpers
 
 146: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers
 146: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers
 146: Test timeout computed to be: 1500
-143: [00:53:13] Rep: 0 Mol:13
-143: [00:53:13] Rep: 0 Mol:0
-143: [00:53:13] Rep: 0 Mol:7
-143: [00:53:13] Rep: 0 Mol:17
-143: [00:53:13] Rep: 0 Mol:11
-143: [00:53:13] Rep: 0 Mol:4
-143: [00:53:13] Rep: 0 Mol:15
-141: [00:53:13] Rep: 0 Mol:21
-141: [00:53:13] Rep: 0 Mol:25
-141: [00:53:13] Rep: 0 Mol:12
-141: [00:53:13] Rep: 0 Mol:16
-143: [00:53:13] Rep: 0 Mol:19
-143: [00:53:13] Rep: 0 Mol:23
-143: [00:53:13] Rep: 0 Mol:27
-141: [00:53:13] Rep: 0 Mol:29
-143: [00:53:13] Rep: 0 Mol:6
-143: [00:53:13] Rep: 0 Mol:10
-141: [00:53:13] Rep: 0 Mol:7
-141: [00:53:13] Rep: 0 Mol:11
-143: [00:53:13] Rep: 0 Mol:31
-143: [00:53:13] Rep: 0 Mol:21
-143: [00:53:13] Rep: 0 Mol:8
-143: [00:53:13] Rep: 0 Mol:12
-146: [00:53:13] ********************************************************
-146: [00:53:13] Testing DistGeomHelpers
-146: [00:53:13] 	---------------------------------
-146: [00:53:13] 	 test2 
+141: [20:54:50] Rep: 0 Mol:2
+141: [20:54:50] Rep: 0 Mol:0
+141: [20:54:50] Rep: 0 Mol:1
+141: [20:54:50] Rep: 0 Mol:4
+141: [20:54:50] Rep: 0 Mol:5
+141: [20:54:50] Rep: 0 Mol:9
+141: [20:54:50] Rep: 0 Mol:3
+141: [20:54:50] Rep: 0 Mol:13
+141: [20:54:50] Rep: 0 Mol:8
+141: [20:54:50] Rep: 0 Mol:6
+141: [20:54:50] Rep: 0 Mol:17
+141: [20:54:50] Rep: 0 Mol:10
+141: [20:54:50] Rep: 0 Mol:12
+141: [20:54:50] Rep: 0 Mol:16
+141: [20:54:50] Rep: 0 Mol:20
+141: [20:54:50] Rep: 0 Mol:7
+141: [20:54:50] Rep: 0 Mol:11
+146: [20:54:50] ********************************************************
+146: [20:54:50] Testing DistGeomHelpers
+146: [20:54:50] 	---------------------------------
+146: [20:54:50] 	 test2 
 146: 
 146: go
 146: -------------------------------------
 146: 
-143: [00:53:13] Rep: 0 Mol:25
-141: [00:53:13] Rep: 0 Mol:15
-141: [00:53:13] Rep: 0 Mol:14
-141: [00:53:13] Rep: 0 Mol:19
-143: [00:53:13] Rep: 0 Mol:29
-141: [00:53:13] Rep: 0 Mol:20
-143: [00:53:13] Rep: 0 Mol:16
-143: [00:53:13] Rep: 0 Mol:20
-143: [00:53:13] Rep: 0 Mol:14
-141: [00:53:13] Rep: 0 Mol:23
-141: [00:53:13] Rep: 0 Mol:27
-141: [00:53:13] Rep: 0 Mol:18
-141: [00:53:13] Rep: 0 Mol:31
-141: [00:53:13] Rep: 0 Mol:24
-143: [00:53:13] Rep: 0 Mol:24
-143: [00:53:13] Rep: 0 Mol:18
-143: [00:53:13] Rep: 0 Mol:28
-141: [00:53:13] Rep: 0 Mol:22
-143: [00:53:13] Rep: 0 Mol:22
-143: [00:53:13] Rep: 0 Mol:26
-141: [00:53:13] Rep: 0 Mol:28
-141: [00:53:13] Rep: 0 Mol:26
-143: [00:53:13] Rep: 0 Mol:30
-141: [00:53:13] Rep: 0 Mol:30
-141: [00:53:13] Rep: 20 Mol:1
-141: [00:53:13] Rep: 20 Mol:5
-141: [00:53:13] Rep: 20 Mol:9
-141: [00:53:13] Rep: 20 Mol:13
-141: [00:53:13] Rep: 20 Mol:17
-141: [00:53:13] Rep: 20 Mol:21
-141: [00:53:13] Rep: 20 Mol:25
-141: [00:53:13] Rep: 20 Mol:29
-141: [00:53:13] Rep: 20 Mol:3
-141: [00:53:13] Rep: 20 Mol:7
-141: [00:53:13] Rep: 20 Mol:11
-141: [00:53:13] Rep: 20 Mol:15
-141: [00:53:13] Rep: 20 Mol:19
-141: [00:53:13] Rep: 20 Mol:23
-141: [00:53:13] Rep: 20 Mol:27
-141: [00:53:13] Rep: 20 Mol:31
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: ..[00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [00:53:13] Rep: 40 Mol:1
-141: [00:53:13] Rep: 40 Mol:5
-141: [00:53:13] Rep: 40 Mol:9
-141: [00:53:13] Rep: 40 Mol:13
-141: [00:53:13] Rep: 40 Mol:17
-141: [00:53:13] Rep: 40 Mol:21
-141: [00:53:13] Rep: 40 Mol:25
-141: [00:53:13] Rep: 40 Mol:29
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [00:53:13] Rep: 20 Mol:0
-141: [00:53:13] Rep: 20 Mol:4
-141: [00:53:13] Rep: 20 Mol:8
-141: [00:53:13] Rep: 20 Mol:12
-141: [00:53:13] Rep: 20 Mol:16
-141: [00:53:13] Rep: 20 Mol:20
-141: [00:53:13] Rep: 20 Mol:24
-141: [00:53:13] Rep: 20 Mol:28
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] UFFTYPER: Unrecognized hybridization for atom: 0
-145: [00:53:13] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: ...[00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:50] Rep: 0 Mol:24
+141: [20:54:50] Rep: 0 Mol:15
+141: [20:54:50] Rep: 0 Mol:28
+141: [20:54:50] Rep: 0 Mol:19
+141: [20:54:50] Rep: 0 Mol:23
+141: [20:54:50] Rep: 0 Mol:27
+141: [20:54:50] Rep: 0 Mol:21
+141: [20:54:50] Rep: 0 Mol:31
+141: [20:54:50] Rep: 0 Mol:25
+141: [20:54:50] Rep: 0 Mol:29
+141: [20:54:50] Rep: 0 Mol:14
+141: [20:54:50] Rep: 0 Mol:18
+141: [20:54:50] Rep: 0 Mol:22
+141: [20:54:50] Rep: 0 Mol:26
+141: [20:54:50] Rep: 0 Mol:30
+141: [20:54:50] Rep: 20 Mol:0
+141: [20:54:50] Rep: 20 Mol:4
+141: [20:54:50] Rep: 20 Mol:8
+141: [20:54:50] Rep: 20 Mol:12
+141: [20:54:50] Rep: 20 Mol:16
+141: [20:54:50] Rep: 20 Mol:20
+141: [20:54:50] Rep: 20 Mol:24
+141: [20:54:50] Rep: 20 Mol:28
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: ..[20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:50] Rep: 20 Mol:3
+141: [20:54:50] Rep: 20 Mol:7
+141: [20:54:50] Rep: 20 Mol:11
+141: [20:54:50] Rep: 20 Mol:15
+141: [20:54:50] Rep: 20 Mol:19
+141: [20:54:50] Rep: 20 Mol:23
+141: [20:54:50] Rep: 20 Mol:27
+141: [20:54:50] Rep: 20 Mol:31
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] UFFTYPER: Unrecognized hybridization for atom: 0
+145: [20:54:50] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: ...[20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:50] Rep: 40 Mol:0
+141: [20:54:50] Rep: 40 Mol:4
+141: [20:54:50] Rep: 40 Mol:8
+141: [20:54:50] Rep: 40 Mol:12
+141: [20:54:50] Rep: 40 Mol:16
+141: [20:54:50] Rep: 40 Mol:20
+141: [20:54:50] Rep: 40 Mol:24
+141: [20:54:50] Rep: 40 Mol:28
+145: [20:54:50] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:50] Rep: 20 Mol:1
+141: [20:54:50] Rep: 20 Mol:5
+141: [20:54:50] Rep: 20 Mol:9
+141: [20:54:50] Rep: 20 Mol:13
+141: [20:54:50] Rep: 20 Mol:17
+141: [20:54:50] Rep: 20 Mol:21
+141: [20:54:50] Rep: 20 Mol:25
+141: [20:54:50] Rep: 20 Mol:29
+143: processing
+143:  launch :0
+143:  launch :1
+143:  launch :2
+143:  launch :3
+143: [20:54:50] Rep: 0 Mol:1
+143: [20:54:50] Rep: 0 Mol:5
+143: [20:54:50] Rep: 0 Mol:9
 145: ...
 145: ----------------------------------------------------------------------
-145: Ran 19 tests in 0.097s
+145: Ran 19 tests in 0.247s
 145: 
 145: OK
-141: [00:53:13] Rep: 20 Mol:2
-141: [00:53:13] Rep: 20 Mol:6
-141: [00:53:13] Rep: 20 Mol:10
-141: [00:53:13] Rep: 20 Mol:14
-141: [00:53:13] Rep: 20 Mol:18
-141: [00:53:13] Rep: 20 Mol:22
-141: [00:53:13] Rep: 20 Mol:26
-141: [00:53:13] Rep: 20 Mol:30
-141: [00:53:13] Rep: 60 Mol:1
-141: [00:53:13] Rep: 60 Mol:5
-141: [00:53:13] Rep: 60 Mol:9
-141: [00:53:13] Rep: 60 Mol:13
-141: [00:53:13] Rep: 60 Mol:17
-141: [00:53:13] Rep: 60 Mol:21
-141: [00:53:13] Rep: 40 Mol:3
-141: [00:53:13] Rep: 60 Mol:25
-141: [00:53:13] [00:53:13] Rep: 60 Mol:29
-141: Rep: 40 Mol:7
-141: [00:53:13] Rep: 40 Mol:11
-141: [00:53:13] Rep: 40 Mol:15
-141: [00:53:13] Rep: 40 Mol:19
-141: [00:53:13] Rep: 40 Mol:23
-141: [00:53:13] Rep: 40 Mol:27
-141: [00:53:13] Rep: 40 Mol:31
-135/235 Test #145: pyForceFieldHelpers ....................   Passed    0.37 sec
+143: [20:54:50] Rep: 0 Mol:2
+143: [20:54:50] Rep: 0 Mol:3
+143: [20:54:50] Rep: 0 Mol:0
+143: [20:54:50] Rep: 0 Mol:13
+143: [20:54:50] Rep: 0 Mol:4
+141: [20:54:50] Rep: 40 Mol:3
+143: [20:54:50] Rep: 0 Mol:17
+141: [20:54:50] Rep: 40 Mol:7
+141: [20:54:50] Rep: 40 Mol:11
+141: [20:54:50] Rep: 40 Mol:15
+141: [20:54:50] Rep: 40 Mol:19
+141: [20:54:50] Rep: 40 Mol:23
+141: [20:54:50] Rep: 40 Mol:27
+141: [20:54:50] Rep: 40 Mol:31
+143: [20:54:50] Rep: 0 Mol:7
+143: [20:54:50] Rep: 0 Mol:11
+143: [20:54:50] Rep: 0 Mol:15
+143: [20:54:50] Rep: 0 Mol:6
+143: [20:54:50] Rep: 0 Mol:21
+143: [20:54:50] Rep: 0 Mol:10
+143: [20:54:50] Rep: 0 Mol:25
+143: [20:54:50] Rep: 0 Mol:8
+143: [20:54:50] Rep: 0 Mol:12
+143: [20:54:50] Rep: 0 Mol:19
+143: [20:54:50] Rep: 0 Mol:29
+143: [20:54:50] Rep: 0 Mol:23
+143: [20:54:50] Rep: 0 Mol:27
+143: [20:54:50] Rep: 0 Mol:31
+143: [20:54:50] Rep: 0 Mol:16
+143: [20:54:50] Rep: 0 Mol:14
+143: [20:54:50] Rep: 0 Mol:20
+143: [20:54:50] Rep: 0 Mol:18
+143: [20:54:50] Rep: 0 Mol:24
+143: [20:54:50] Rep: 0 Mol:28
+143: [20:54:50] Rep: 0 Mol:22
+141: [20:54:50] Rep: 60 Mol:0
+141: [20:54:50] Rep: 60 Mol:4
+141: [20:54:50] Rep: 60 Mol:8
+141: [20:54:50] Rep: 60 Mol:12
+141: [20:54:50] Rep: 60 Mol:16
+135/235 Test #145: pyForceFieldHelpers ....................   Passed    0.88 sec
 test 147
         Start 147: distGeomHelpersCatch
 
 147: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch
 147: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers
 147: Test timeout computed to be: 1500
-147: Randomness seeded to: 4064361589
-141: [00:53:13] Rep: 40 Mol:0
-141: [00:53:13] Rep: 40 Mol:4
-141: [00:53:13] Rep: 40 Mol:8
-141: [00:53:13] Rep: 40 Mol:12
-141: [00:53:13] Rep: 40 Mol:16
-141: [00:53:13] Rep: 40 Mol:20
-141: [00:53:13] Rep: 40 Mol:24
-141: [00:53:13] Rep: 40 Mol:28
-147: [00:53:13] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
-143: [00:53:13] Rep: 100 Mol:3
-143: [00:53:13] Rep: 100 Mol:7
-143: [00:53:13] Rep: 100 Mol:11
-143: [00:53:13] Rep: 100 Mol:15
-147: [00:53:13] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 
-147: [00:53:13] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-143: [00:53:13] Rep: 100 Mol:19
-143: [00:53:13] Rep: 100 Mol:23
-143: [00:53:13] Rep: 100 Mol:27
-143: [00:53:13] Rep: 100 Mol:31
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [00:53:13] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+141: [20:54:50] Rep: 20 Mol:2
+141: [20:54:50] Rep: 20 Mol:6
+141: [20:54:50] Rep: 20 Mol:10
+141: [20:54:50] Rep: 20 Mol:14
+141: [20:54:50] Rep: 20 Mol:18
+141: [20:54:50] Rep: 20 Mol:22
+141: [20:54:50] Rep: 20 Mol:26
+141: [20:54:50] Rep: 60 Mol:20
+141: [20:54:50] Rep: 60 Mol:24
+143: [20:54:50] Rep: 0 Mol:26
+141: [20:54:50] Rep: 60 Mol:28
+143: [20:54:50] Rep: 0 Mol:30
+141: [20:54:50] Rep: 20 Mol:30
+147: Randomness seeded to: 56360809
+147: [20:54:50] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 
+147: [20:54:50] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:54:50] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
 147: -----------
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
 147: -----------
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
 147: -----------
+141: [20:54:50] Rep: 40 Mol:1
+141: [20:54:50] Rep: 40 Mol:5
+141: [20:54:50] Rep: 40 Mol:9
+141: [20:54:50] Rep: 40 Mol:13
+141: [20:54:50] Rep: 40 Mol:17
+141: [20:54:50] Rep: 60 Mol:3
+141: [20:54:50] Rep: 60 Mol:7
+141: [20:54:50] Rep: 60 Mol:11
+141: [20:54:50] Rep: 60 Mol:15
+141: [20:54:50] Rep: 60 Mol:19
+141: [20:54:50] Rep: 60 Mol:23
+141: [20:54:50] Rep: 60 Mol:27
+141: [20:54:50] Rep: 60 Mol:31
 147: -----------
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [00:53:13] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-141: [00:53:14] Rep: 60 Mol:3
-141: [00:53:14] Rep: 60 Mol:7
-141: [00:53:14] Rep: 60 Mol:11
-141: [00:53:14] Rep: 80 Mol:1
-141: [00:53:14] Rep: 80 Mol:5
-141: [00:53:14] Rep: 80 Mol:9
-141: [00:53:14] Rep: 80 Mol:13
-141: [00:53:14] Rep: 80 Mol:17
-141: [00:53:14] Rep: 80 Mol:21
-141: [00:53:14] Rep: 80 Mol:25
-141: [00:53:14] Rep: 80 Mol:29
-141: [00:53:14] Rep: 60 Mol:15
-141: [00:53:14] Rep: 60 Mol:19
-141: [00:53:14] Rep: 60 Mol:23
-141: [00:53:14] Rep: 60 Mol:27
-141: [00:53:14] Rep: 60 Mol:31
-147: [00:53:14] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 1
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 1
-143: [00:53:14] Rep: 100 Mol:1
-143: [00:53:14] Rep: 100 Mol:0
-143: [00:53:14] Rep: 100 Mol:4
-143: [00:53:14] Rep: 100 Mol:8
-143: [00:53:14] Rep: 100 Mol:12
-143: [00:53:14] Rep: 100 Mol:16
-143: [00:53:14] Rep: 100 Mol:20
-143: [00:53:14] Rep: 100 Mol:24
-143: [00:53:14] Rep: 100 Mol:28
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 1
-143: [00:53:14] Rep: 100 Mol:5
-143: [00:53:14] Rep: 100 Mol:9
-143: [00:53:14] Rep: 100 Mol:13
-143: [00:53:14] Rep: 100 Mol:17
-143: [00:53:14] Rep: 100 Mol:21
-143: [00:53:14] Rep: 100 Mol:25
-143: [00:53:14] Rep: 100 Mol:29
-141: [00:53:14] Rep: 40 Mol:2
-141: [00:53:14] Rep: 40 Mol:6
-141: [00:53:14] Rep: 40 Mol:10
-141: [00:53:14] Rep: 40 Mol:14
-141: [00:53:14] Rep: 40 Mol:18
-141: [00:53:14] Rep: 40 Mol:22
-141: [00:53:14] Rep: 40 Mol:26
-141: [00:53:14] Rep: 40 Mol:30
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 5
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 5
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 5
-141: [00:53:14] Rep: 60 Mol:0
-141: [00:53:14] Rep: 60 Mol:4
-141: [00:53:14] Rep: 60 Mol:8
-141: [00:53:14] Rep: 60 Mol:12
-141: [00:53:14] Rep: 60 Mol:16
-141: [00:53:14] Rep: 60 Mol:20
-141: [00:53:14] Rep: 60 Mol:24
-141: [00:53:14] Rep: 60 Mol:28
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 6
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 6
-141: [00:53:14] Rep: 80 Mol:3
-141: [00:53:14] Rep: 80 Mol:7
-141: [00:53:14] Rep: 80 Mol:11
-141: [00:53:14] Rep: 80 Mol:15
-141: [00:53:14] Rep: 80 Mol:19
-141: [00:53:14] Rep: 80 Mol:23
-141: [00:53:14] Rep: 80 Mol:27
-141: [00:53:14] Rep: 80 Mol:31
-95: 0,0 0
-95: 0,1 0
-95: 1,0 0
-95: 1,1 0
-95: 2,0 0
-95: 2,1 0
-147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 6
-136/235 Test  #95: testEnumeration ........................   Passed    5.86 sec
-test 148
-        Start 148: pyDistGeomHelpers
-
-148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
-148: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
-148: Test timeout computed to be: 1500
-143: [00:53:14] Rep: 100 Mol:2
-143: [00:53:14] Rep: 100 Mol:6
-143: [00:53:14] Rep: 100 Mol:10
-143: [00:53:14] Rep: 100 Mol:14
-143: [00:53:14] Rep: 100 Mol:18
-143: [00:53:14] Rep: 100 Mol:22
-143: [00:53:14] Rep: 100 Mol:26
-143: [00:53:14] Rep: 100 Mol:30
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Test unfolded version of RDKFP   
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Test bitinfo of RDKFP   
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:54:50] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+141: [20:54:50] Rep: 40 Mol:21
+141: [20:54:50] Rep: 40 Mol:25
+141: [20:54:50] Rep: 40 Mol:29
+141: [20:54:50] Rep: 80 Mol:0
+141: [20:54:50] Rep: 80 Mol:4
+141: [20:54:50] Rep: 80 Mol:8
+141: [20:54:50] Rep: 80 Mol:12
+141: [20:54:50] Rep: 80 Mol:16
+141: [20:54:50] Rep: 80 Mol:20
+141: [20:54:50] Rep: 80 Mol:24
+141: [20:54:50] Rep: 80 Mol:28
+147: [20:54:50] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
+147: [20:54:50] UFFTYPER: Unrecognized charge state for atom: 1
+147: [20:54:50] UFFTYPER: Unrecognized charge state for atom: 1
+147: [20:54:50] UFFTYPER: Unrecognized charge state for atom: 1
+141: [20:54:51] Rep: 80 Mol:3
+141: [20:54:51] Rep: 80 Mol:7
+141: [20:54:51] Rep: 80 Mol:11
+141: [20:54:51] Rep: 80 Mol:15
+141: [20:54:51] Rep: 80 Mol:19
+141: [20:54:51] Rep: 80 Mol:23
+141: [20:54:51] Rep: 40 Mol:2
+141: [20:54:51] Rep: 40 Mol:6
+141: [20:54:51] Rep: 40 Mol:10
+141: [20:54:51] Rep: 40 Mol:14
+141: [20:54:51] Rep: 40 Mol:18
+141: [20:54:51] Rep: 80 Mol:27
+141: [20:54:51] Rep: 80 Mol:31
+147: [20:54:51] UFFTYPER: Unrecognized charge state for atom: 5
+147: [20:54:51] UFFTYPER: Unrecognized charge state for atom: 5
+141: [20:54:51] Rep: 60 Mol:1
+141: [20:54:51] Rep: 60 Mol:5
+141: [20:54:51] Rep: 60 Mol:9
+141: [20:54:51] Rep: 60 Mol:13
+141: [20:54:51] Rep: 60 Mol:17
+141: [20:54:51] Rep: 40 Mol:22
+141: [20:54:51] Rep: 40 Mol:26
+141: [20:54:51] Rep: 40 Mol:30
+141: [20:54:51] Rep: 60 Mol:21
+141: [20:54:51] Rep: 60 Mol:25
+141: [20:54:51] Rep: 60 Mol:29
+147: [20:54:51] UFFTYPER: Unrecognized charge state for atom: 5
+143: [20:54:51] Rep: 100 Mol:1
+143: [20:54:51] Rep: 100 Mol:5
+143: [20:54:51] Rep: 100 Mol:9
+143: [20:54:51] Rep: 100 Mol:13
+143: [20:54:51] Rep: 100 Mol:17
+143: [20:54:51] Rep: 100 Mol:21
+143: [20:54:51] Rep: 100 Mol:25
+143: [20:54:51] Rep: 100 Mol:29
+147: [20:54:51] UFFTYPER: Unrecognized charge state for atom: 6
+147: [20:54:51] UFFTYPER: Unrecognized charge state for atom: 6
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+147: [20:54:51] UFFTYPER: Unrecognized charge state for atom: 6
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Test unfolded version of RDKFP   
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Test bitinfo of RDKFP   
 128:    562:  [ 2 ], 
 128:    709:  [ 0 1 ], 
 128:    1118:  [ 0 1 2 ], 
@@ -27153,74 +27147,183 @@
 128:    1772:  [ 0 ],  [ 1 ], 
 128:    1813:  [ 0 1 ], 
 128:   ------------ 
-128: [00:53:14] -------------------------------------
-128: [00:53:14]     Single atoms setting radius 1 bits in Morgan fingerprints  
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14] Github #879: Pattern fingerprint should set bits for single-atom fragments.
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14] Github #2115: BitInfo not complete for RDKFingerprint
-128: [00:53:14]   done
-128: [00:53:14] -------------------------------------
-128: [00:53:14] Github #3723: Fingerprint crash for mols with Zero order bonds
-128: [00:53:14]   done
-137/235 Test #128: testFingerprints .......................   Passed    2.62 sec
+128: [20:54:51] -------------------------------------
+128: [20:54:51]     Single atoms setting radius 1 bits in Morgan fingerprints  
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51] Github #879: Pattern fingerprint should set bits for single-atom fragments.
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51] Github #2115: BitInfo not complete for RDKFingerprint
+128: [20:54:51]   done
+128: [20:54:51] -------------------------------------
+128: [20:54:51] Github #3723: Fingerprint crash for mols with Zero order bonds
+128: [20:54:51]   done
+136/235 Test #128: testFingerprints .......................   Passed    5.23 sec
+test 148
+        Start 148: pyDistGeomHelpers
+
+148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
+148: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
+148: Test timeout computed to be: 1500
+141: [20:54:51] Rep: 80 Mol:1
+141: [20:54:51] Rep: 80 Mol:5
+141: [20:54:51] Rep: 80 Mol:9
+141: [20:54:51] Rep: 80 Mol:13
+141: [20:54:51] Rep: 80 Mol:17
+141: [20:54:51] Rep: 80 Mol:21
+141: [20:54:51] Rep: 80 Mol:25
+141: [20:54:51] Rep: 80 Mol:29
+143: [20:54:51] Rep: 100 Mol:3
+143: [20:54:51] Rep: 100 Mol:7
+143: [20:54:51] Rep: 100 Mol:11
+143: [20:54:51] Rep: 100 Mol:15
+143: [20:54:51] Rep: 100 Mol:19
+143: [20:54:51] Rep: 100 Mol:23
+143: [20:54:51] Rep: 100 Mol:27
+143: [20:54:51] Rep: 100 Mol:31
+141: [20:54:51] Rep: 60 Mol:2
+141: [20:54:51] Rep: 60 Mol:6
+141: [20:54:51] Rep: 60 Mol:10
+141: [20:54:51] Rep: 60 Mol:14
+141: [20:54:51] Rep: 60 Mol:18
+141: [20:54:51] Rep: 60 Mol:22
+141: [20:54:51] Rep: 60 Mol:26
+141: [20:54:51] Rep: 60 Mol:30
+143: [20:54:51] Rep: 100 Mol:0
+143: [20:54:51] Rep: 100 Mol:4
+143: [20:54:51] Rep: 100 Mol:8
+143: [20:54:51] Rep: 100 Mol:12
+143: [20:54:51] Rep: 100 Mol:16
+143: [20:54:51] Rep: 100 Mol:20
+143: [20:54:51] Rep: 100 Mol:24
+143: [20:54:51] Rep: 100 Mol:28
+143: [20:54:51] Rep: 100 Mol:2
+143: [20:54:51] Rep: 100 Mol:6
+143: [20:54:51] Rep: 100 Mol:10
+143: [20:54:51] Rep: 100 Mol:14
+143: [20:54:51] Rep: 100 Mol:18
+143: [20:54:51] Rep: 100 Mol:22
+143: [20:54:51] Rep: 100 Mol:26
+143: [20:54:51] Rep: 100 Mol:30
+141: [20:54:51] Rep: 80 Mol:2
+141: [20:54:51] Rep: 80 Mol:6
+141: [20:54:51] Rep: 80 Mol:10
+141: [20:54:51] Rep: 80 Mol:14
+141: [20:54:51] Rep: 80 Mol:18
+141: [20:54:51] Rep: 80 Mol:22
+141: [20:54:51] Rep: 80 Mol:26
+141: [20:54:51] Rep: 80 Mol:30
+148: .[20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: ..[20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: ..[20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:51] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:52]   done
+141: [20:54:52] -------------------------------------
+141: [20:54:52]     Test MMFF multithreading2
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+95: 0,0 0
+95: 0,1 0
+95: 1,0 0
+95: 1,1 0
+95: 2,0 0
+95: 2,1 0
+137/235 Test  #95: testEnumeration ........................   Passed   12.45 sec
 test 149
         Start 149: testMolAlign
 
 149: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign
 149: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
 149: Test timeout computed to be: 1500
-141: [00:53:14] Rep: 60 Mol:2
-141: [00:53:14] Rep: 60 Mol:6
-141: [00:53:14] Rep: 60 Mol:10
-141: [00:53:14] Rep: 60 Mol:14
-141: [00:53:14] Rep: 60 Mol:18
-141: [00:53:14] Rep: 60 Mol:22
-141: [00:53:14] Rep: 60 Mol:26
-141: [00:53:14] Rep: 60 Mol:30
-141: [00:53:14] Rep: 80 Mol:0
-141: [00:53:14] Rep: 80 Mol:4
-141: [00:53:14] Rep: 80 Mol:8
-141: [00:53:14] Rep: 80 Mol:12
-141: [00:53:14] Rep: 80 Mol:16
-141: [00:53:14] Rep: 80 Mol:20
-141: [00:53:14] Rep: 80 Mol:24
-141: [00:53:14] Rep: 80 Mol:28
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
 149: ***********************************************************
 149: Testing MolAlign
 149: 	---------------------------------
@@ -27242,310 +27345,342 @@
 149: 	 testIssue241 
 149: 
 149: ***********************************************************
-138/235 Test #149: testMolAlign ...........................   Passed    0.14 sec
+147: [20:54:52] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+138/235 Test #149: testMolAlign ...........................   Passed    0.28 sec
 test 150
         Start 150: testO3AAlign
 
 150: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
 150: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
 150: Test timeout computed to be: 1500
-141: [00:53:14] Rep: 80 Mol:2
-141: [00:53:14] Rep: 80 Mol:6
-141: [00:53:14] Rep: 80 Mol:10
-141: [00:53:14] Rep: 80 Mol:14
-141: [00:53:14] Rep: 80 Mol:18
-141: [00:53:14] Rep: 80 Mol:22
-141: [00:53:14] Rep: 80 Mol:26
-141: [00:53:14] Rep: 80 Mol:30
-148: .[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: ..[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue GLU5A does not match expected count
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue ASN39A does not match expected count
-148: ..[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue GLU53A does not match expected count
-125: Warning: Atom Count for residue ARG64A does not match expected count
-125: Warning: Atom Count for residue LYS80A does not match expected count
-148: .[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue GLU150A does not match expected count
-125: Warning: Atom Count for residue ASN157A does not match expected count
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [00:53:14]   done
-141: [00:53:14] -------------------------------------
-141: [00:53:14]     Test MMFF multithreading2
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-125: ===============================================================================
-125: All tests passed (515 assertions in 10 test cases)
-125: 
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-139/235 Test #125: descriptorsTestCatch ...................   Passed    3.63 sec
-test 151
-        Start 151: molAlignCatchTest
-
-151: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
-151: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
-151: Test timeout computed to be: 1500
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [00:53:14]   done
-143: [00:53:14] -------------------------------------
-143: [00:53:14]     Test UFF multithreading2
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-151: Randomness seeded to: 1715960923
-151: 41364920
-147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-151: 76479360
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-146: [00:53:13] 	---------------------------------
-146: [00:53:13] 	 test3 
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+147: [20:54:52] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+147: [20:54:52] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+146: [20:54:50] 	---------------------------------
+146: [20:54:50] 	 test3 
 146: 
-146: [00:53:13] 	---------------------------------
-146: [00:53:13] 	 test4 
+146: [20:54:50] 	---------------------------------
+146: [20:54:50] 	 test4 
 146: 
-146: [00:53:13] 	---------------------------------
-146: [00:53:13] 	 test5 
+146: [20:54:50] 	---------------------------------
+146: [20:54:50] 	 test5 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test6 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test6 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test15Dists 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test15Dists 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test Issue 215 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test Issue 215 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testMultipleConfs 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testMultipleConfs 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testMultipleConfsExpTors 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testMultipleConfsExpTors 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue227 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue227 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue236 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue236 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testOrdering 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testOrdering 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue244 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue244 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue251 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue251 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue276 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue284 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue276 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue284 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue285 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue285 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testIssue355 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testIssue355 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 testRandomCoords 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 testRandomCoords 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 1989539 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 1989539 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 2091864 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 2091864 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test constrained embedding 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test constrained embedding 
 146: 
-146: [00:53:14] ssd: 0.0752641
-146: [00:53:14] ssd: 0.0659363
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 2091974 
+146: [20:54:52] ssd: 0.0752641
+146: [20:54:52] ssd: 0.0659363
+147: [20:54:52] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+147: [20:54:52] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+147: [20:54:52] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+143: [20:54:52]   done
+143: [20:54:52] -------------------------------------
+143: [20:54:52]     Test UFF multithreading2
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:52]   done
+141: [20:54:52] -------------------------------------
+141: [20:54:52]     Test MMFF multithreading3
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:52] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 2091974 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 2835784 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 2835784 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 3019283 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 3019283 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 3238580 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 3238580 
 146: 
-146: [00:53:14] 	---------------------------------
-146: [00:53:14] 	 test sf.net issue 3483968 
+146: [20:54:52] 	---------------------------------
+146: [20:54:52] 	 test sf.net issue 3483968 
 146: 
-146: [00:53:15] 	---------------------------------
-146: [00:53:15] 	 test github issue 55 
+146: [20:54:53] 	---------------------------------
+146: [20:54:53] 	 test github issue 55 
 146: 
-146: [00:53:15] 	---------------------------------
-146: [00:53:15] 	 test1 
+146: [20:54:53] 	---------------------------------
+146: [20:54:53] 	 test1 
 146: 
-146: [00:53:15] 	---------------------------------
-146: [00:53:15] 	 test multi-threading 
+146: [20:54:53] 	---------------------------------
+146: [20:54:53] 	 test multi-threading 
 146: 
 146: building molecules
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
 146: generating reference data
-52: Randomness seeded to: 4255240094
-52: ===============================================================================
-52: All tests passed (14835 assertions in 14 test cases)
-52: 
-140/235 Test  #52: canonTestsCatch ........................   Passed    9.16 sec
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+125: Warning: Atom Count for residue GLU5A does not match expected count
+125: Warning: Atom Count for residue ASN39A does not match expected count
+125: Warning: Atom Count for residue GLU53A does not match expected count
+125: Warning: Atom Count for residue ARG64A does not match expected count
+125: Warning: Atom Count for residue LYS80A does not match expected count
+125: Warning: Atom Count for residue GLU150A does not match expected count
+125: Warning: Atom Count for residue ASN157A does not match expected count
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+125: ===============================================================================
+125: All tests passed (515 assertions in 10 test cases)
+125: 
+143: [20:54:53]   done
+143: [20:54:53] -------------------------------------
+143: [20:54:53]     Test UFF multithreading3
+139/235 Test #125: descriptorsTestCatch ...................   Passed    8.70 sec
+test 151
+        Start 151: molAlignCatchTest
+
+151: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
+151: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
+151: Test timeout computed to be: 1500
+148: [20:54:53] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:54:53]   done
+141: [20:54:53] -------------------------------------
+141: [20:54:53]     Testing github 162: Incorrect SMILES after MMFF parameterization .
+141: [20:54:53]   done
+141: [20:54:53] -------------------------------------
+141: [20:54:53]     Testing github 224: crash during MMFF parameterization .
+141: [20:54:53]   done
+141: [20:54:53] -------------------------------------
+141: [20:54:53]     Testing github6728: crash due to missing stretch-bend params.
+140/235 Test #141: testMMFFForceFieldHelpers ..............   Passed    4.68 sec
 test 152
         Start 152: pyMolAlign
 
 152: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
 152: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap
 152: Test timeout computed to be: 1500
-141: [00:53:15]   done
-141: [00:53:15] -------------------------------------
-141: [00:53:15]     Test MMFF multithreading3
-148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [00:53:15]   done
-143: [00:53:15] -------------------------------------
-143: [00:53:15]     Test UFF multithreading3
-148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [00:53:15]   done
-141: [00:53:15] -------------------------------------
-141: [00:53:15]     Testing github 162: Incorrect SMILES after MMFF parameterization .
-141: [00:53:15]   done
-141: [00:53:15] -------------------------------------
-141: [00:53:15]     Testing github 224: crash during MMFF parameterization .
-141: [00:53:15]   done
-141: [00:53:15] -------------------------------------
-141: [00:53:15]     Testing github6728: crash due to missing stretch-bend params.
-141/235 Test #141: testMMFFForceFieldHelpers ..............   Passed    2.60 sec
+151: Randomness seeded to: 882366856
+151: 77925406
+126: Warning: Atom Count for residue GLU5A does not match expected count
+126: Warning: Atom Count for residue ASN39A does not match expected count
+126: Warning: Atom Count for residue GLU53A does not match expected count
+126: Warning: Atom Count for residue ARG64A does not match expected count
+126: Warning: Atom Count for residue LYS80A does not match expected count
+151: 79905299
+126: Warning: Atom Count for residue GLU150A does not match expected count
+126: Warning: Atom Count for residue ASN157A does not match expected count
+126: .[20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: .[20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: ..[20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ...[20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: [20:54:54] DEPRECATION WARNING: please use MorganGenerator
+126: ....[20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: ....[20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:54:54] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ..[20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: .[20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:54:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ...
+126: ----------------------------------------------------------------------
+126: Ran 31 tests in 8.135s
+126: 
+126: OK
+126: exactmw 78.046950192
+126: amw 78.11399999999999
+126: lipinskiHBA 0.0
+126: lipinskiHBD 0.0
+126: NumRotatableBonds 0.0
+126: NumHBD 0.0
+126: NumHBA 0.0
+126: NumHeavyAtoms 6.0
+126: NumAtoms 12.0
+126: NumHeteroatoms 0.0
+126: NumAmideBonds 0.0
+126: FractionCSP3 0.0
+126: NumRings 1.0
+126: NumAromaticRings 1.0
+126: NumAliphaticRings 0.0
+126: NumSaturatedRings 0.0
+126: NumHeterocycles 0.0
+126: NumAromaticHeterocycles 0.0
+126: NumSaturatedHeterocycles 0.0
+126: NumAliphaticHeterocycles 0.0
+126: NumSpiroAtoms 0.0
+126: NumBridgeheadAtoms 0.0
+126: NumAtomStereoCenters 0.0
+126: NumUnspecifiedAtomStereoCenters 0.0
+126: labuteASA 37.43140311949697
+126: tpsa 0.0
+126: CrippenClogP 1.6866
+126: CrippenMR 26.441999999999993
+126: chi0v 3.464101615137755
+126: chi1v 2.0000000000000004
+126: chi2v 0.6666666666666671
+126: chi3v 0.6666666666666671
+126: chi4v 0.38490017945975075
+126: chi0n 3.464101615137755
+126: chi1n 2.0000000000000004
+126: chi2n 0.6666666666666671
+126: chi3n 0.6666666666666671
+126: chi4n 0.38490017945975075
+126: hallKierAlpha -0.78
+126: kappa1 3.4115708812260532
+126: kappa2 1.6057694396735218
+126: kappa3 0.5823992601400448
+126: Phi 0.9130327103921437
+126: CustomNumAtoms 6.0
+126: exactmw 78.046950192
+126: lipinskiHBA 0.0
+148: [20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+141/235 Test #126: pyMolDescriptors .......................   Passed    8.88 sec
 test 153
         Start 153: testFeatures
 
 153: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 153: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures
 153: Test timeout computed to be: 1500
-153: [00:53:15] -------------------------------------
-153: [00:53:15] AtomType parser testing.
-153: [00:53:15] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
-153: [00:53:15] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] FeatureDefinition parser testing.
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Test pulling feat defs from a string.
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] FeatureDef functionality testing.
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] FeatureFactory testing.
-153: [00:53:15] 1
-153: [00:53:15] 2
-153: [00:53:15] 3
-153: [00:53:15] 4
-153: [00:53:15] 5
-153: [00:53:15] 6
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Feature Location testing.
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Test building a FeatureFactory from a file
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Testing Issue 224.
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Testing Issue 225.
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Test Issue346
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Test Issue347
-153: [00:53:15]   done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Testing Issue 348.
-153: [00:53:15] SMARTS Parse Error: syntax error while parsing: [C[C]
-153: [00:53:15] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Testing Nested AtomType definitions.
+153: [20:54:54] -------------------------------------
+153: [20:54:54] AtomType parser testing.
+153: [20:54:54] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
+153: [20:54:54] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] FeatureDefinition parser testing.
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Test pulling feat defs from a string.
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] FeatureDef functionality testing.
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] FeatureFactory testing.
+153: [20:54:54] 1
+153: [20:54:54] 2
+153: [20:54:54] 3
+153: [20:54:54] 4
+153: [20:54:54] 5
+153: [20:54:54] 6
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Feature Location testing.
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Test building a FeatureFactory from a file
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Testing Issue 224.
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Testing Issue 225.
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Test Issue346
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Test Issue347
+153: [20:54:54]   done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Testing Issue 348.
+153: [20:54:54] SMARTS Parse Error: syntax error while parsing: [C[C]
+153: [20:54:54] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Testing Nested AtomType definitions.
 153: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Testing Github Issue #252: crash when calling getPos() with no conformer.
-153: [00:53:15]      expect a precondition failure message below
-153: [00:53:15] 
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Testing Github Issue #252: crash when calling getPos() with no conformer.
+153: [20:54:54]      expect a precondition failure message below
+153: [20:54:54] 
 153: 
 153: ****
 153: Pre-condition Violation
@@ -27558,62 +27693,63 @@
 153:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
 153:  2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
 153:  3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
-153:  4# 0x0000AAAAE3731AB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153:  5# 0x0000AAAAE3724568 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153:  6# 0x0000FFFFAC8E229C in /lib/aarch64-linux-gnu/libc.so.6
+153:  4# 0x0000AAAAAE8A1AB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  5# 0x0000AAAAAE894568 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  6# 0x0000FFFF961E229C in /lib/aarch64-linux-gnu/libc.so.6
 153:  7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-153:  8# 0x0000AAAAE3724730 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  8# 0x0000AAAAAE894730 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 153: ----------
 153: ****
 153: 
-153: [00:53:15]    Done
-153: [00:53:15] -------------------------------------
-153: [00:53:15] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
-153: [00:53:15]   done
-142/235 Test #153: testFeatures ...........................   Passed    0.03 sec
+153: [20:54:54]    Done
+153: [20:54:54] -------------------------------------
+153: [20:54:54] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
+153: [20:54:54]   done
+142/235 Test #153: testFeatures ...........................   Passed    0.02 sec
 test 154
         Start 154: pyChemicalFeatures
 
 154: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
 154: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
 154: Test timeout computed to be: 1500
-143: [00:53:15]   done
-143: [00:53:15] -------------------------------------
-143: [00:53:15]     Testing GitHubIssue62.
-143: [00:53:15] beta-lactam 39.6387
-143: [00:53:15] cyclopropanone 174.698
-143: [00:53:15] aziridine 337.986
-143: [00:53:15] aziridinone 115.248
-143: [00:53:15] isobutene 2.48217
-143: [00:53:15] acetone 1.91788
-143: [00:53:15] cyclopentanone 10.1648
-143: [00:53:15] cyclopropene 99.4921
-143: [00:53:15] cyclobutene 41.0156
-143: [00:53:15] cyclopropane 267.236
-143: [00:53:15] gamma-lactam 15.7471
-143: [00:53:15] trans-2,3-diphenylcyclopropan-1-one 203.398
-143: [00:53:15] cis-2,3-diphenylcyclopropan-1-one 206.852
-143: [00:53:15] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
-143: [00:53:15] cyclopropylidencyclobutane 218.879
-148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [00:53:15] diphenylmethylidencyclobutane 79.6139
-143: [00:53:15]   done
-143: [00:53:15] -------------------------------------
-143: [00:53:15]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
-143: [00:53:15]   done
-143: [00:53:15] -------------------------------------
-143: [00:53:15]     Test square planar complexes
-143: [00:53:15]   done
-143: [00:53:15] -------------------------------------
-143: [00:53:15]     Test octahedral complexes
-143: [00:53:15]   done
-143/235 Test #143: testUFFForceFieldHelpers ...............   Passed    2.64 sec
+148: [20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:54:54]   done
+143: [20:54:54] -------------------------------------
+143: [20:54:54]     Testing GitHubIssue62.
+143: [20:54:54] beta-lactam 39.6387
+143: [20:54:54] cyclopropanone 174.698
+143: [20:54:54] aziridine 337.986
+143: [20:54:54] aziridinone 115.248
+143: [20:54:54] isobutene 2.48217
+143: [20:54:54] acetone 1.91788
+143: [20:54:54] cyclopentanone 10.1648
+143: [20:54:54] cyclopropene 99.4921
+143: [20:54:54] cyclobutene 41.0156
+143: [20:54:54] cyclopropane 267.236
+143: [20:54:54] gamma-lactam 15.7471
+143: [20:54:54] trans-2,3-diphenylcyclopropan-1-one 203.398
+143: [20:54:54] cis-2,3-diphenylcyclopropan-1-one 206.852
+143: [20:54:54] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
+143: [20:54:54] cyclopropylidencyclobutane 218.879
+143: [20:54:54] diphenylmethylidencyclobutane 79.6139
+143: [20:54:54]   done
+143: [20:54:54] -------------------------------------
+143: [20:54:54]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
+143: [20:54:54]   done
+143: [20:54:54] -------------------------------------
+143: [20:54:54]     Test square planar complexes
+143: [20:54:54]   done
+143: [20:54:54] -------------------------------------
+143: [20:54:54]     Test octahedral complexes
+143: [20:54:54]   done
+143/235 Test #143: testUFFForceFieldHelpers ...............   Passed    5.18 sec
 test 155
         Start 155: testShapeHelpers
 
 155: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers
 155: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers
 155: Test timeout computed to be: 1500
+154: .[20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
 155: ***********************************************************
 155: Testing ShapeHelpers
 155: 	---------------------------------
@@ -27626,47 +27762,71 @@
 155: 	 testGithub4364 
 155: 
 155: ***********************************************************
-144/235 Test #155: testShapeHelpers .......................   Passed    0.03 sec
+144/235 Test #155: testShapeHelpers .......................   Passed    0.05 sec
 test 156
         Start 156: pyShapeHelpers
 
 156: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
 156: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
 156: Test timeout computed to be: 1500
-154: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-154: ..[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[00:53:15] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
-154: [00:53:15] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
+154: .[20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+154: ..[20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+154: .[20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+154: .[20:54:54] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
+154: [20:54:54] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
 154: ...
 154: ----------------------------------------------------------------------
-154: Ran 9 tests in 0.058s
+154: Ran 9 tests in 0.181s
 154: 
 154: OK
-145/235 Test #154: pyChemicalFeatures .....................   Passed    0.27 sec
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+148: [20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:54:54] Molecule does not have explicit Hs. Consider calling AddHs()
+145/235 Test #154: pyChemicalFeatures .....................   Passed    0.72 sec
 test 157
         Start 157: testMolCatalog
 
 157: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog
 157: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog
 157: Test timeout computed to be: 1500
-146/235 Test #157: testMolCatalog .........................   Passed    0.02 sec
+29: All 191 tests passed
+29:   done
+29: -------------------------------------
+29: Unit tests for all MMFF constraint terms.
+151: 1017915352
+146/235 Test #157: testMolCatalog .........................   Passed    0.03 sec
 test 158
         Start 158: pyMolCatalog
 
 158: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rough_test.py"
 158: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap
 158: Test timeout computed to be: 1500
-151: 1225827040
+148: [20:54:55] Molecule does not have explicit Hs. Consider calling AddHs()
+29: 10.0003
+29:   done
+29: -------------------------------------
+29: Unit test for MMFF TorsionConstraint close to 0 degrees.
+29:   done
+29: -------------------------------------
+29: Unit tests for copying MMFF ForceFields.
+29:   done
+29: -------------------------------------
+29: Unit test for MMFF butane scan.
+148: [20:54:55] Molecule does not have explicit Hs. Consider calling AddHs()
+158: .
+158: ----------------------------------------------------------------------
+158: Ran 1 test in 0.010s
+158: 
+158: OK
+148: [20:54:55] Molecule does not have explicit Hs. Consider calling AddHs()
 156: .
 156: ----------------------------------------------------------------------
-156: Ran 1 test in 0.025s
+156: Ran 1 test in 0.113s
 156: 
 156: OK
 156: Testing Shape Helpers wrapper
-147/235 Test #156: pyShapeHelpers .........................   Passed    0.25 sec
+147/235 Test #158: pyMolCatalog ...........................   Passed    0.44 sec
 test 159
         Start 159: moldraw2DTest1
 
@@ -27674,257 +27834,154 @@
 159: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
 159: Test timeout computed to be: 1500
 159:  ----------------- Test 1
-126: Warning: Atom Count for residue GLU5A does not match expected count
-126: Warning: Atom Count for residue ASN39A does not match expected count
-126: Warning: Atom Count for residue GLU53A does not match expected count
-126: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue LYS80A does not match expected count
 159: file test1_6.svg gave hash 1109656969U not the expected 2635907956U
 159:  Done
 159:  ----------------- Test 2
-126: Warning: Atom Count for residue GLU150A does not match expected count
-126: Warning: Atom Count for residue ASN157A does not match expected count
 159: file test2_1.png gave hash 2906135263U not the expected 638584804U
 159: file test2_2.png gave hash 1323626475U not the expected 610424244U
-126: .[00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: .[00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: ..[00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ...[00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
-126: ....[00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: ....[00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ..[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
 159: file test2_3.png gave hash 2294574389U not the expected 2179746375U
 159:  Done
 159:  ----------------- Test 4
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: .[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ...
-126: ----------------------------------------------------------------------
-126: Ran 31 tests in 4.797s
-126: 
-126: OK
-126: exactmw 78.046950192
-126: amw 78.11399999999999
-126: lipinskiHBA 0.0
-126: lipinskiHBD 0.0
-126: NumRotatableBonds 0.0
-126: NumHBD 0.0
-126: NumHBA 0.0
-126: NumHeavyAtoms 6.0
-126: NumAtoms 12.0
-126: NumHeteroatoms 0.0
-126: NumAmideBonds 0.0
-126: FractionCSP3 0.0
-126: NumRings 1.0
-126: NumAromaticRings 1.0
-126: NumAliphaticRings 0.0
-126: NumSaturatedRings 0.0
-126: NumHeterocycles 0.0
-126: NumAromaticHeterocycles 0.0
-126: NumSaturatedHeterocycles 0.0
-126: NumAliphaticHeterocycles 0.0
-126: NumSpiroAtoms 0.0
-126: NumBridgeheadAtoms 0.0
-126: NumAtomStereoCenters 0.0
-126: NumUnspecifiedAtomStereoCenters 0.0
-126: labuteASA 37.43140311949697
-126: tpsa 0.0
-126: CrippenClogP 1.6866
-126: CrippenMR 26.441999999999993
-126: chi0v 3.464101615137755
-126: chi1v 2.0000000000000004
-126: chi2v 0.6666666666666671
-126: chi3v 0.6666666666666671
-126: chi4v 0.38490017945975075
-126: chi0n 3.464101615137755
-126: chi1n 2.0000000000000004
-126: chi2n 0.6666666666666671
-126: chi3n 0.6666666666666671
-126: chi4n 0.38490017945975075
-126: hallKierAlpha -0.78
-126: kappa1 3.4115708812260532
-126: kappa2 1.6057694396735218
-126: kappa3 0.5823992601400448
-126: Phi 0.9130327103921437
-126: CustomNumAtoms 6.0
-126: exactmw 78.046950192
-126: lipinskiHBA 0.0
 159: file test4_1.png gave hash 2529400033U not the expected 3993974247U
 159:  Done
 159:  ----------------- Test 5
-158: .
-158: ----------------------------------------------------------------------
-158: Ran 1 test in 0.014s
-158: 
-158: OK
-159: file test5_1.png gave hash 1609648752U not the expected 571291290U
-159: file test5_2.png gave hash 2470719886U not the expected 97265124U
-159: file test5_3.png gave hash 1735485981U not the expected 606188176U
-159:  Done
-159:  ----------------- Test 6 (atom labels)
-159:  Done
-159:  ----------------- Test 7 (backgrounds)
-159: file test7_1.png gave hash 3442107642U not the expected 1322246680U
-159: file test7_2.png gave hash 2446896946U not the expected 1499012715U
-159:  Done
-159:  ----------------- Test8: PrepareMolDrawing
-159:  Done
-159:  ----------------- Test multi-threaded drawing
-159: reading molecules
-148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
-148/235 Test #158: pyMolCatalog ...........................   Passed    0.33 sec
+148/235 Test #156: pyShapeHelpers .........................   Passed    0.93 sec
 test 160
         Start 160: moldraw2DTestCatch
 
 160: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
 160: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
 160: Test timeout computed to be: 1500
-149/235 Test #126: pyMolDescriptors .......................   Passed    5.18 sec
+159: file test5_1.png gave hash 1609648752U not the expected 571291290U
+159: file test5_2.png gave hash 2470719886U not the expected 97265124U
+151: 567200339
+151: ===============================================================================
+151: All tests passed (73 assertions in 3 test cases)
+151: 
+149/235 Test #151: molAlignCatchTest ......................   Passed    1.87 sec
 test 161
         Start 161: moldraw2DRxnTest1
 
 161: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1
 161: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
 161: Test timeout computed to be: 1500
-159: generating reference drawings
-161:  ----------------- Test 1
-161: file rxn_test1_1.png gave hash 169116773U not the expected 801892091U
-161: file rxn_test1_2.png gave hash 1054415001U not the expected 507435337U
-151: 332062400
-151: ===============================================================================
-151: All tests passed (73 assertions in 3 test cases)
-151: 
-150/235 Test #151: molAlignCatchTest ......................   Passed    1.78 sec
+159: file test5_3.png gave hash 1735485981U not the expected 606188176U
+159:  Done
+159:  ----------------- Test 6 (atom labels)
+29:   done
+150/235 Test  #29: testMMFFForceField .....................   Passed   20.21 sec
 test 162
         Start 162: pyMolDraw2D
 
 162: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
 162: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
 162: Test timeout computed to be: 1500
+159:  Done
+159:  ----------------- Test 7 (backgrounds)
+161:  ----------------- Test 1
+159: file test7_1.png gave hash 3442107642U not the expected 1322246680U
+159: file test7_2.png gave hash 2446896946U not the expected 1499012715U
+159:  Done
+159:  ----------------- Test8: PrepareMolDrawing
+159:  Done
+159:  ----------------- Test multi-threaded drawing
+159: reading molecules
+161: file rxn_test1_1.png gave hash 169116773U not the expected 801892091U
+161: file rxn_test1_2.png gave hash 1054415001U not the expected 507435337U
+159: generating reference drawings
 161: file rxn_test1_3.png gave hash 1401039782U not the expected 1590809137U
-160: Randomness seeded to: 2107901886
-160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
 161: file rxn_test1_4.png gave hash 1077411151U not the expected 1766700542U
-160: file contourMol_2.svg gave hash 2761342533U not the expected 1815941817U
 161: file rxn_test1_5.png gave hash 1082898052U not the expected 2552100594U
-160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
-160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
-160: file contourMol_5.svg gave hash 3376179346U not the expected 3792684719U
-148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
-146: validating reference data
 161: file rxn_test1_6.png gave hash 2614641009U not the expected 3791582903U
-159: processing
-159:  launch :0
-159:  launch :1
-159:  launch :2
-159:  launch :3
-160: file testGithub3226_1.png gave hash 2884766435U not the expected 3165135374U
 161: file rxn_test1_7.png gave hash 2659385921U not the expected 1461397406U
 161:  Done
 161:  ----------------- Test 2: some examples that caused problems in testing
-160: file testGithub3226_2.png gave hash 2496669020U not the expected 643975155U
-160: file testGithub3226_3.png gave hash 3470350919U not the expected 3119571946U
 161: file rxn_test2_1.png gave hash 2159157032U not the expected 3551633840U
-160: file testPNGMetadata_1.png gave hash 3544974138U not the expected 997629701U
+160: Randomness seeded to: 4170431311
+160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
 161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
+159: processing
+159:  launch :0
+159:  launch :1
+159:  launch :2
+159:  launch :3
+160: file contourMol_2.svg gave hash 2761342533U not the expected 1815941817U
 161: file rxn_test2_2_1.png gave hash 558529985U not the expected 1268122583U
 161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
+160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
 161: file rxn_test2_2_2.png gave hash 431249733U not the expected 82821108U
-160: file testPNGMetadata_2.png gave hash 2226910827U not the expected 1797853056U
+160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
 161: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
 161: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
 161: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
+160: file contourMol_5.svg gave hash 3376179346U not the expected 3792684719U
 161: file rxn_test2_2_3.png gave hash 4183177411U not the expected 3828365604U
 161: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
 161: file rxn_test2_2_4.png gave hash 798840480U not the expected 1230108677U
 161:  Done
 161:  ----------------- Test 3: test reactant highlighting
 161: file rxn_test3_1.png gave hash 4020922188U not the expected 4189980366U
+160: file testGithub3226_1.png gave hash 2884766435U not the expected 3165135374U
 161:  Done
 161:  ----------------- Test 4: some examples from SMARTS in testing
 161: draw!
-148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testGithub3226_2.png gave hash 2496669020U not the expected 643975155U
 161: file rxn_test4_1.png gave hash 1538512166U not the expected 2745201873U
 161:  done
-160: file testHandDrawn-1.png gave hash 2532617830U not the expected 3894611804U
+160: file testGithub3226_3.png gave hash 3470350919U not the expected 3119571946U
+160: file testPNGMetadata_1.png gave hash 3544974138U not the expected 997629701U
+148: .[20:54:56] Molecule does not have explicit Hs. Consider calling AddHs()
 161: file rxn_test4_2.png gave hash 4290002109U not the expected 3094925886U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+146: validating reference data
 161:  Done
-151/235 Test #161: moldraw2DRxnTest1 ......................   Passed    0.26 sec
+151/235 Test #161: moldraw2DRxnTest1 ......................   Passed    0.50 sec
 test 163
         Start 163: testFMCS
 
 163: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/testFMCS
 163: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS
 163: Test timeout computed to be: 1500
+160: file testPNGMetadata_2.png gave hash 2226910827U not the expected 1797853056U
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+52: Randomness seeded to: 4103310238
+52: ===============================================================================
+52: All tests passed (14835 assertions in 14 test cases)
+52: 
+152/235 Test  #52: canonTestsCatch ........................   Passed   20.38 sec
+test 164
+        Start 164: pyFMCS
+
+164: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/testFMCS.py"
+164: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap
+164: Test timeout computed to be: 1500
+160: file testHandDrawn-1.png gave hash 2532617830U not the expected 3894611804U
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 160: file testHandDrawn-2.svg gave hash 700659102U not the expected 794717511U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-162: ...[00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
-162: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+162: ...[20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
+162: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 160: file testHandDrawn-2.png gave hash 1194644863U not the expected 1443443188U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 160: file testHandDrawn-3.svg gave hash 2359787964U not the expected 3982694296U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 160: file testHandDrawn-3.png gave hash 3369355742U not the expected 865629432U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 160: file testHandDrawn-4.svg gave hash 1880974760U not the expected 2146113517U
-160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-162: ..........[00:53:16] 
+160: [20:54:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-4.png gave hash 1247155982U not the expected 3919767093U
+162: ..........[20:54:56] 
 162: 
 162: ****
-160: file testHandDrawn-4.png gave hash 1247155982U not the expected 3919767093U
 162: Pre-condition Violation
 162: molecule must not be None
 162: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
@@ -27936,7 +27993,7 @@
 162:  2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
 162:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol* (*)(RDKit::ROMol const*, bool, bool, bool, bool, bool), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector7<RDKit::ROMol*, RDKit::ROMol const*, bool, bool, bool, bool, bool> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
 162:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-162:  5# 0x0000FFFF86AA2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+162:  5# 0x0000FFFF87402680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 162:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 162:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 162:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
@@ -27947,17 +28004,17 @@
 162: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 162: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 162: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-162: 16# 0x0000FFFF860BB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-162: 17# 0x0000FFFF860BB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-162: 18# 0x0000FFFF860BB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-162: 19# 0x0000FFFF860BB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-162: 20# 0x0000FFFF860BB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+162: 16# 0x0000FFFF86A1B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+162: 17# 0x0000FFFF86A1B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+162: 18# 0x0000FFFF86A1B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+162: 19# 0x0000FFFF86A1B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+162: 20# 0x0000FFFF86A1B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 162: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 162: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 162: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 162: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 162: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-162: 26# 0x0000FFFF86A9F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+162: 26# 0x0000FFFF873FF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 162: 27# _PyObject_MakeTpCall in /usr/bin/python3
 162: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 162: 29# 0x0000000000531670 in /usr/bin/python3
@@ -27989,83 +28046,19 @@
 162: 55# 0x0000000000624DCC in /usr/bin/python3
 162: 56# Py_RunMain in /usr/bin/python3
 162: 57# Py_BytesMain in /usr/bin/python3
-162: 58# 0x0000FFFF883C229C in /lib/aarch64-linux-gnu/libc.so.6
+162: 58# 0x0000FFFF88D2229C in /lib/aarch64-linux-gnu/libc.so.6
 162: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 162: 60# _start in /usr/bin/python3
 162: ----------
 162: ****
 162: 
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
 162: ......................
 162: ----------------------------------------------------------------------
-162: Ran 35 tests in 0.138s
+162: Ran 35 tests in 0.789s
 162: 
 162: OK
 162: json lasso
-152/235 Test #162: pyMolDraw2D ............................   Passed    0.38 sec
-test 164
-        Start 164: pyFMCS
-
-164: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/testFMCS.py"
-164: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap
-164: Test timeout computed to be: 1500
-148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
-29: All 191 tests passed
-29:   done
-29: -------------------------------------
-29: Unit tests for all MMFF constraint terms.
-29: 10.0003
-29:   done
-29: -------------------------------------
-29: Unit test for MMFF TorsionConstraint close to 0 degrees.
-29:   done
-29: -------------------------------------
-29: Unit tests for copying MMFF ForceFields.
-29:   done
-29: -------------------------------------
-29: Unit test for MMFF butane scan.
-160: file testHandDrawn-5a.svg gave hash 2796249138U not the expected 1567781555U
-160: [00:53:17] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:17] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-5b.svg gave hash 4043231252U not the expected 66354106U
-160: [00:53:17] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [00:53:17] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-5.png gave hash 2430523987U not the expected 828378555U
-160: file testBrackets-5a.svg gave hash 279553678U not the expected 1447240271U
-160: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 3269244452U
-150: ***********************************************************
-150: Testing O3AAlign
-150: 	---------------------------------
-150: 	 testMMFFO3A 
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with pre-computed dmat and MolHistogram
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with constraints
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with variable weight constraints followed by local-only optimization
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A 
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with pre-computed dmat and MolHistogram
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with constraints
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with variable weight constraints followed by local-only optimization
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A multithreading
-150: 
-150: generating reference data
-29:   done
-153/235 Test  #29: testMMFFForceField .....................   Passed   11.67 sec
+153/235 Test #162: pyMolDraw2D ............................   Passed    2.03 sec
 test 165
         Start 165: FMCStest
 
@@ -29572,7 +29565,6 @@
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
-160: [00:53:17] unrecognized bond typefile testGithub4238_1.png gave hash 4081567765U not the expected 2623427676U
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
@@ -30038,67 +30030,44 @@
 165: 
 165: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi
 165: ERROR: RDKit could not load input file
-154/235 Test #165: FMCStest ...............................   Passed    0.04 sec
+154/235 Test #165: FMCStest ...............................   Passed    0.06 sec
 test 166
         Start 166: molHashCatchTest
 
 166: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
 166: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash
 166: Test timeout computed to be: 1500
-160: file testGithub4323_1.png gave hash 3210012906U not the expected 3075787867U
-146: processing
-146:  launch :0
-146:  launch :1
-146:  launch :2
-146:  launch :3
-166: Randomness seeded to: 1331910046
+166: Randomness seeded to: 1580814157
 166: ===============================================================================
 166: All tests passed (363 assertions in 14 test cases)
 166: 
-155/235 Test #166: molHashCatchTest .......................   Passed    0.08 sec
+155/235 Test #166: molHashCatchTest .......................   Passed    0.18 sec
 test 167
         Start 167: pyMolHash
 
 167: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/testMolHash.py"
 167: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap
 167: Test timeout computed to be: 1500
-148: .[00:53:17] Molecule does not have explicit Hs. Consider calling AddHs()
-160: file testGithub4323_3.png gave hash 2585216301U not the expected 381907253U
-160: [00:53:17] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
-160: file testFlexiCanvas.2a.png gave hash 2206969409U not the expected 2609920321U
-160: file testFlexiCanvas.2b.png gave hash 2563070594U not the expected 3615599154U
-160: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
-160: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
-160: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
-160: file testGithub4764.sz1.png gave hash 434772931U not the expected 2179222277U
-160: file testGithub4764.sz2.png gave hash 3567858909U not the expected 444262090U
+146: processing
+146:  launch :0
+146:  launch :1
+146:  launch :2
+146:  launch :3
 167: ....
 167: ----------------------------------------------------------------------
-167: Ran 4 tests in 0.016s
+167: Ran 4 tests in 0.028s
 167: 
 167: OK
-160: file testGithub4764.sz3.png gave hash 3541535490U not the expected 3567162200U
-160: file github5383_1.svg gave hash 2761342533U not the expected 1815941817U
-160: file github5383_2.svg gave hash 2560846108U not the expected 0U
-160: file github5383_1.png gave hash 186818321U not the expected 2893520928U
-160: file acs1996_1.png gave hash 1116230394U not the expected 2329725800U
-160: file acs1996_2.png gave hash 910959002U not the expected 2996350718U
-160: file acs1996_3.svg gave hash 510450189U not the expected 879041204U
-160: file acs1996_8.svg gave hash 3359655656U not the expected 4110469272U
-160: file acs1996_10.svg gave hash 1008047306U not the expected 2229333301U
-160: [00:53:17] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1.  The scale will be fixed, and that may not look great with a pre-determined size.
-160: file bond_highlights_8.svg gave hash 197391689U not the expected 3119784980U
-156/235 Test #167: pyMolHash ..............................   Passed    0.39 sec
+156/235 Test #167: pyMolHash ..............................   Passed    0.63 sec
 test 168
         Start 168: testMMPA
 
 168: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/testMMPA
 168: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA
 168: Test timeout computed to be: 1500
-160: file test_github5947.svg gave hash 737562322U not the expected 3122633523U
 168: 
 168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-168: Time elapsed 0.006359 seconds
+168: Time elapsed 0.002212 seconds
 168:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 168:  1: NOREF. Reference data NOT LISTED in test case.
 168:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
@@ -30109,7 +30078,6 @@
 168:  4: NOREF. Reference data NOT LISTED in test case.
 168:  5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2]
 168:  5: NOREF. Reference data NOT LISTED in test case.
-160: file test_github6112.svg gave hash 3291975047U not the expected 3278777629U
 168:  6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
 168:  6: NOREF. Reference data NOT LISTED in test case.
 168:  7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1]
@@ -30140,7 +30108,7 @@
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 168:  -----------------------------------
-168: Time elapsed 0.001973 seconds
+168: Time elapsed 0.001913 seconds
 168: 
 168: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
 168:    1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
@@ -30155,7 +30123,6 @@
 168:  5: PASSED. matchedRefRes = 12
 168:    6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
 168:  6: PASSED. matchedRefRes = 10
-160: file github6336_1.png gave hash 1930712448U not the expected 2958833204U
 168:    7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168:  7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168:    8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
@@ -30183,7 +30150,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
-168: Time elapsed 0.002086 seconds
+168: Time elapsed 0.001923 seconds
 168:  1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
 168:  1: PASSED. matchedRefRes = 4
 168:  2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2]
@@ -30223,7 +30190,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE
-168: Time elapsed 0.000531 seconds
+168: Time elapsed 0.008710 seconds
 168:  1: res= NULL,C[*:1].O=CC(N1CC1)[*:1]
 168:  1: PASSED. matchedRefRes = 2
 168:  2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1]
@@ -30245,7 +30212,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-168: Time elapsed 0.002100 seconds
+168: Time elapsed 0.006322 seconds
 168:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 168:  1: NOREF. Reference data NOT LISTED in test case.
 168:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
@@ -30288,7 +30255,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2
-168: Time elapsed 0.010418 seconds
+168: Time elapsed 0.006523 seconds
 168:  1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1
 168:  1: NOREF. Reference data NOT LISTED in test case.
 168:  2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1
@@ -30329,150 +30296,86 @@
 168:  --- ALL PASSED --- 
 168:  -----------------------------------
 168: 5 TEST CASES FAILED 
-157/235 Test #168: testMMPA ...............................   Passed    0.14 sec
+157/235 Test #168: testMMPA ...............................   Passed    0.16 sec
 test 169
         Start 169: pyMMPA
 
 169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/testMMPA.py"
 169: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap
 169: Test timeout computed to be: 1500
-160: file AtropManyChiralsEnhanced.svg gave hash 643650995U not the expected 2256768013U
-160: file testWedgingShouldBeOnSingleBond.svg gave hash 2637422009U not the expected 1002741488U
-160: file testHighlightHeteroAtoms_1.svg gave hash 4006401146U not the expected 1769258632U
-160: file testHighlightHeteroAtoms_2.svg gave hash 1248188292U not the expected 893937335U
-160: file testGithub_7739_1.svg gave hash 1295207536U not the expected 2615562225U
-160: file testGithub_7739_3.svg gave hash 3850267352U not the expected 1037942338U
-160: file testGithub_7739_4.svg gave hash 1411616678U not the expected 3549083171U
-160: [00:53:18] 
-160: 
-160: ****
-160: Pre-condition Violation
-160: 
-160: Violation occurred on line 206 in file ./Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
-160: Failed Expression: atomIdx < atCds_.size() && atomIdx < atomLabels_.size()
-160: ----------
-160: Stacktrace:
-160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  2# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::calcSymbolEllipse(unsigned int, RDGeom::Point2D&, double&, double&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeAtomHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x0000AAAACA145640 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x0000AAAACA21500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x0000AAAACA2159C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x0000AAAACA215DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x0000AAAACA1E96B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x0000AAAACA1E9C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x0000AAAACA13E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x0000FFFF7EB9229C in /lib/aarch64-linux-gnu/libc.so.6
-160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-160: 17# 0x0000AAAACA13E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: ----------
-160: ****
-160: 
-160: [00:53:18] 
-160: 
-160: ****
-160: Range Error
-160: idx
-160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
-160: Failed Expression: 2 < 0
-160: ----------
-160: Stacktrace:
-160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x0000AAAACA145084 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x0000AAAACA21500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x0000AAAACA2159C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x0000AAAACA215DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x0000AAAACA1E96B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x0000AAAACA1E9C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x0000AAAACA13E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x0000FFFF7EB9229C in /lib/aarch64-linux-gnu/libc.so.6
-160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-160: 17# 0x0000AAAACA13E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: ----------
-160: ****
-160: 
-160: [00:53:18] 
-160: 
-160: ****
-160: Range Error
-160: idx
-160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
-160: Failed Expression: 0 < 0
-160: ----------
-160: Stacktrace:
-160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x0000AAAACA1456EC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x0000AAAACA21500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x0000AAAACA2159C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x0000AAAACA215DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x0000AAAACA1E96B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x0000AAAACA1E9C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x0000AAAACA13E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x0000FFFF7EB9229C in /lib/aarch64-linux-gnu/libc.so.6
-160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-160: 17# 0x0000AAAACA13E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: ----------
-160: ****
-160: 
-150: processing
-150:  launch :0
-150:  launch :1
-150:  launch :2
-150:  launch :3
-160: file testSmallReactionCanvas.svg gave hash 3859901121U not the expected 2238356155U
+150: ***********************************************************
+150: Testing O3AAlign
+150: 	---------------------------------
+150: 	 testMMFFO3A 
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with pre-computed dmat and MolHistogram
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with constraints
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with variable weight constraints followed by local-only optimization
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A 
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with pre-computed dmat and MolHistogram
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with constraints
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with variable weight constraints followed by local-only optimization
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A multithreading
+150: 
+150: generating reference data
+160: file testHandDrawn-5a.svg gave hash 2796249138U not the expected 1567781555U
+160: [20:54:59] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:59] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-5b.svg gave hash 4043231252U not the expected 66354106U
+160: [20:54:59] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:54:59] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-5.png gave hash 2430523987U not the expected 828378555U
+160: file testBrackets-5a.svg gave hash 279553678U not the expected 1447240271U
+160: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 3269244452U
 163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-163: Time elapsed 0.000 seconds
+163: Time elapsed 0.004 seconds
 163: 
 163:  test32()
 163: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds
-163: Time elapsed 0.055 seconds
+163: Time elapsed 0.075 seconds
 163: 
 163:  test190()
 163: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds
-163: Time elapsed 0.005 seconds
+163: Time elapsed 0.013 seconds
 163: 
 163:  test3()
 163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
-163: Time elapsed 0.007 seconds
+163: Time elapsed 0.018 seconds
 163: 
 163: testSimpleFast()
 163: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds
-163: Time elapsed 0.055 seconds
+163: Time elapsed 0.296 seconds
 163: 
 163: testSimple()
 163: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.051 seconds
+163: Time elapsed 0.213 seconds
 163: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.058 seconds
+163: Time elapsed 0.214 seconds
 163: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.068 seconds
+163: Time elapsed 0.198 seconds
 163: 
 163: testSegFault()
 163: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.005 seconds
+163: Time elapsed 0.013 seconds
 163: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.007 seconds
+163: Time elapsed 0.023 seconds
 163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.006 seconds
+163: Time elapsed 0.027 seconds
 163: 
 163: testThreshold()
 163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
@@ -30480,11 +30383,11 @@
 163: 
 163: testRing1()
 163: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-163: Time elapsed 0.286 seconds
+163: Time elapsed 0.547 seconds
 163: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-163: Time elapsed 0.457 seconds
+163: Time elapsed 0.605 seconds
 163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds
-163: Time elapsed 0.372 seconds
+163: Time elapsed 0.956 seconds
 163: 
 163: testAtomCompareIsotopes()
 163: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
@@ -30508,33 +30411,25 @@
 163: 
 163: testJnk1LigandsDistance()
 163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds
-163: Time elapsed 0.004 seconds
+163: Time elapsed 0.017 seconds
 163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds
-160: ===============================================================================
-160: All tests passed (6853 assertions in 115 test cases)
-160: 
-158/235 Test #160: moldraw2DTestCatch .....................   Passed    1.83 sec
-test 170
-        Start 170: testRascalMCES
-
-170: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
-170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
-170: Test timeout computed to be: 1500
+160: [20:54:59] unrecognized bond typefile testGithub4238_1.png gave hash 4081567765U not the expected 2623427676U
+160: file testGithub4323_1.png gave hash 3210012906U not the expected 3075787867U
 163: Time elapsed 0.001 seconds
 163: 
 163: test18()
 163: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1
 163: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds
-163: Time elapsed 0.008 seconds
+163: Time elapsed 0.012 seconds
 163: 
 163: test504()
 163: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1
 163: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds
-163: Time elapsed 0.079 seconds
+163: Time elapsed 0.169 seconds
 163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
 163: Time elapsed 0.001 seconds
 163: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds
-163: Time elapsed 0.014 seconds
+163: Time elapsed 0.046 seconds
 163: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
 163: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0007 seconds. bond[0]=6
 163: STATISTICS:
@@ -30618,6 +30513,7 @@
 163: res sub = 1 size=4
 163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
 163: test target = OC(F)CCl query = OC(F)C useChirality = 1
+160: file testGithub4323_3.png gave hash 2585216301U not the expected 381907253U
 163: res sub = 1 size=4
 163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
 163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0
@@ -30653,44 +30549,193 @@
 163: res sub = 1 size=3
 163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
 163: 	done
-163: [00:53:19] The provided InitialSeed is not an MCS and will be ignored
+160: [20:54:59] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
+150: processing
+150:  launch :0
+150:  launch :1
+150:  launch :2
+150:  launch :3
+160: file testFlexiCanvas.2a.png gave hash 2206969409U not the expected 2609920321U
+160: file testFlexiCanvas.2b.png gave hash 2563070594U not the expected 3615599154U
+160: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
+160: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
+160: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
+160: file testGithub4764.sz1.png gave hash 434772931U not the expected 2179222277U
+160: file testGithub4764.sz2.png gave hash 3567858909U not the expected 444262090U
+160: file testGithub4764.sz3.png gave hash 3541535490U not the expected 3567162200U
+160: file github5383_1.svg gave hash 2761342533U not the expected 1815941817U
+160: file github5383_2.svg gave hash 2560846108U not the expected 0U
+160: file github5383_1.png gave hash 186818321U not the expected 2893520928U
+160: file acs1996_1.png gave hash 1116230394U not the expected 2329725800U
+160: file acs1996_2.png gave hash 910959002U not the expected 2996350718U
+160: file acs1996_3.svg gave hash 510450189U not the expected 879041204U
+160: file acs1996_8.svg gave hash 3359655656U not the expected 4110469272U
+160: file acs1996_10.svg gave hash 1008047306U not the expected 2229333301U
+160: [20:55:00] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1.  The scale will be fixed, and that may not look great with a pre-determined size.
+160: file bond_highlights_8.svg gave hash 197391689U not the expected 3119784980U
+160: file test_github5947.svg gave hash 737562322U not the expected 3122633523U
+160: file test_github6112.svg gave hash 3291975047U not the expected 3278777629U
+160: file github6336_1.png gave hash 1930712448U not the expected 2958833204U
+160: file AtropManyChiralsEnhanced.svg gave hash 643650995U not the expected 2256768013U
+163: [20:55:01] The provided InitialSeed is not an MCS and will be ignored
+160: file testWedgingShouldBeOnSingleBond.svg gave hash 2637422009U not the expected 1002741488U
+160: file testHighlightHeteroAtoms_1.svg gave hash 4006401146U not the expected 1769258632U
+160: file testHighlightHeteroAtoms_2.svg gave hash 1248188292U not the expected 893937335U
+160: file testGithub_7739_1.svg gave hash 1295207536U not the expected 2615562225U
+160: file testGithub_7739_3.svg gave hash 3850267352U not the expected 1037942338U
+160: file testGithub_7739_4.svg gave hash 1411616678U not the expected 3549083171U
+160: [20:55:01] 
+160: 
+160: ****
+160: Pre-condition Violation
+160: 
+160: Violation occurred on line 206 in file ./Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
+160: Failed Expression: atomIdx < atCds_.size() && atomIdx < atomLabels_.size()
+160: ----------
+160: Stacktrace:
+160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  2# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::calcSymbolEllipse(unsigned int, RDGeom::Point2D&, double&, double&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeAtomHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  8# 0x0000AAAAE8595640 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x0000AAAAE866500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x0000AAAAE86659C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x0000AAAAE8665DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x0000AAAAE86396B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x0000AAAAE8639C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x0000AAAAE858E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x0000FFFF7EC4229C in /lib/aarch64-linux-gnu/libc.so.6
+160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+160: 17# 0x0000AAAAE858E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: ----------
+160: ****
+160: 
+160: [20:55:01] 
+160: 
+160: ****
 169: .........
 169: ----------------------------------------------------------------------
-169: Ran 9 tests in 1.905s
+169: Ran 9 tests in 2.481s
 169: 
 169: OK
-159/235 Test #169: pyMMPA .................................   Passed    2.25 sec
+160: Range Error
+160: idx
+160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
+160: Failed Expression: 2 < 0
+160: ----------
+160: Stacktrace:
+160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  8# 0x0000AAAAE8595084 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x0000AAAAE866500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x0000AAAAE86659C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x0000AAAAE8665DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x0000AAAAE86396B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x0000AAAAE8639C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x0000AAAAE858E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x0000FFFF7EC4229C in /lib/aarch64-linux-gnu/libc.so.6
+160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+160: 17# 0x0000AAAAE858E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: ----------
+160: ****
+160: 
+160: [20:55:01] 
+160: 
+160: ****
+160: Range Error
+160: idx
+160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
+160: Failed Expression: 0 < 0
+160: ----------
+160: Stacktrace:
+160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  8# 0x0000AAAAE85956EC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x0000AAAAE866500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x0000AAAAE86659C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x0000AAAAE8665DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x0000AAAAE86396B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x0000AAAAE8639C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x0000AAAAE858E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x0000FFFF7EC4229C in /lib/aarch64-linux-gnu/libc.so.6
+160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+160: 17# 0x0000AAAAE858E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: ----------
+160: ****
+160: 
+160: file testSmallReactionCanvas.svg gave hash 3859901121U not the expected 2238356155U
+158/235 Test #169: pyMMPA .................................   Passed    3.13 sec
+test 170
+        Start 170: testRascalMCES
+
+170: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
+170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
+170: Test timeout computed to be: 1500
+160: ===============================================================================
+160: All tests passed (6853 assertions in 115 test cases)
+160: 
+159/235 Test #160: moldraw2DTestCatch .....................   Passed    6.38 sec
 test 171
         Start 171: testRascalCluster
 
 171: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
 171: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
 171: Test timeout computed to be: 1500
-164: ........................................[00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: .[00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: .[00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: .[00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
-164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
+164: ........................................[20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: .[20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: .[20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: .[20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:02] The provided InitialSeed is not an MCS and will be ignored
 164: .................
 164: ----------------------------------------------------------------------
-164: Ran 60 tests in 3.873s
+164: Ran 60 tests in 6.005s
 164: 
 164: OK
-160/235 Test #164: pyFMCS .................................   Passed    4.18 sec
+160/235 Test #164: pyFMCS .................................   Passed    6.74 sec
 test 172
         Start 172: pyRascalMCES
 
 172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
 172: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
 172: Test timeout computed to be: 1500
-172: ..........[00:53:21] Too many matching bond pairs (1032) so can't continue.
+172: ..........[20:55:04] Too many matching bond pairs (1032) so can't continue.
+172: ....
+172: ----------------------------------------------------------------------
+172: Ran 14 tests in 2.632s
+172: 
+172: OK
+161/235 Test #172: pyRascalMCES ...........................   Passed    3.48 sec
+test 173
+        Start 173: testSynthonSpaceSubstructureSearch
+
+173: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
+173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
+173: Test timeout computed to be: 1500
+173: Randomness seeded to: 1725259490
+173: [20:55:07] Writing the enumerated file may take quite some time and result in a large file.
 159:  Done
 159:  ----------------- Test Github #781: Rendering single-atom molecules
 159:  Done
@@ -30814,95 +30859,83 @@
 159:  Done
 159:  ----------------- Test AND queries
 159:  Done
-161/235 Test #159: moldraw2DTest1 .........................   Passed    6.33 sec
-test 173
-        Start 173: testSynthonSpaceSubstructureSearch
-
-173: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
-173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
-173: Test timeout computed to be: 1500
-172: ....
-172: ----------------------------------------------------------------------
-172: Ran 14 tests in 1.290s
-172: 
-172: OK
-162/235 Test #172: pyRascalMCES ...........................   Passed    1.62 sec
+162/235 Test #159: moldraw2DTest1 .........................   Passed   13.69 sec
 test 174
         Start 174: testCIPLabeler
 
 174: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
 174: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler
 174: Test timeout computed to be: 1500
-174: Randomness seeded to: 3857459839
-174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
-174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
-174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
-174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
-174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
-174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
-174: [00:53:22] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-174: [00:53:22] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+174: Randomness seeded to: 1790775344
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+174: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 174: ===============================================================================
 174: All tests passed (6577 assertions in 19 test cases)
 174: 
-163/235 Test #174: testCIPLabeler .........................   Passed    0.22 sec
+163/235 Test #174: testCIPLabeler .........................   Passed    0.30 sec
 test 175
         Start 175: pyCIPLabelsWrapTest
 
 175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
 175: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
 175: Test timeout computed to be: 1500
-173: Randomness seeded to: 1339293306
-173: [00:53:22] Writing the enumerated file may take quite some time and result in a large file.
 175: ....
 175: ----------------------------------------------------------------------
-175: Ran 4 tests in 0.009s
+175: Ran 4 tests in 0.033s
 175: 
 175: OK
-164/235 Test #175: pyCIPLabelsWrapTest ....................   Passed    0.35 sec
+164/235 Test #175: pyCIPLabelsWrapTest ....................   Passed    0.69 sec
 test 176
         Start 176: pyCIPLabelsValidation
 
 176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
 176: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
 176: Test timeout computed to be: 1500
-171: Randomness seeded to: 343535041
+171: Randomness seeded to: 3609946380
 171: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
-152: .............[00:53:24] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:24] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
-173: [00:53:26] Building the fingerprints may take some time.
-152: ...[00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
+152: .............[20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+173: [20:55:12] Building the fingerprints may take some time.
+170: Randomness seeded to: 1673155498
+170: [20:55:12] Timed out after 11 seconds.
+152: ...[20:55:17] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:17] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:17] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:17] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:17] Molecule does not have explicit Hs. Consider calling AddHs()
 152: ...
 152: ----------------------------------------------------------------------
-152: Ran 19 tests in 11.665s
+152: Ran 19 tests in 23.392s
 152: 
 152: OK
 152: Testing MolAlign Wrappers
-165/235 Test #152: pyMolAlign .............................   Passed   11.96 sec
+165/235 Test #152: pyMolAlign .............................   Passed   24.46 sec
 test 177
         Start 177: deprotectTest
 
 177: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
 177: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect
 177: Test timeout computed to be: 1500
-177: Randomness seeded to: 2181031911
+177: Randomness seeded to: 2549227715
 177: ===============================================================================
 177: All tests passed (111 assertions in 3 test cases)
 177: 
-166/235 Test #177: deprotectTest ..........................   Passed    0.05 sec
+166/235 Test #177: deprotectTest ..........................   Passed    0.09 sec
 test 178
         Start 178: pyDeprotect
 
@@ -30911,7 +30944,7 @@
 178: Test timeout computed to be: 1500
 178: .....
 178: ----------------------------------------------------------------------
-178: Ran 5 tests in 0.022s
+178: Ran 5 tests in 0.106s
 178: 
 178: OK
 178: Testing tert-butyldimethylsilyl
@@ -30964,7 +30997,7 @@
 178: Testing acetamide
 178: Testing carbobenzyloxy
 178: Testing Acetal/Ketal
-167/235 Test #178: pyDeprotect ............................   Passed    0.24 sec
+167/235 Test #178: pyDeprotect ............................   Passed    0.86 sec
 test 179
         Start 179: testReducedGraphs
 
@@ -30989,7 +31022,7 @@
 179: 
 179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
 179: 
-168/235 Test #179: testReducedGraphs ......................   Passed    0.04 sec
+168/235 Test #179: testReducedGraphs ......................   Passed    0.05 sec
 test 180
         Start 180: pyReducedGraphs
 
@@ -30998,81 +31031,74 @@
 180: Test timeout computed to be: 1500
 180: .....
 180: ----------------------------------------------------------------------
-180: Ran 5 tests in 0.008s
+180: Ran 5 tests in 0.069s
 180: 
 180: OK
-169/235 Test #180: pyReducedGraphs ........................   Passed    0.27 sec
+169/235 Test #180: pyReducedGraphs ........................   Passed    0.62 sec
 test 181
         Start 181: trajectoryTest
 
 181: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
 181: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory
 181: Test timeout computed to be: 1500
-170/235 Test #181: trajectoryTest .........................   Passed    0.17 sec
+170/235 Test #181: trajectoryTest .........................   Passed    0.64 sec
 test 182
         Start 182: substructLibraryTest
 
 182: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
 182: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
 182: Test timeout computed to be: 1500
-182: [00:53:27] -------------------------------------
-182: [00:53:27]     Test1
-182: [00:53:28]   done
-182: [00:53:28] -------------------------------------
-182: [00:53:28]     Test2
-182: [00:53:28]   done
-182: [00:53:28] -------------------------------------
-182: [00:53:28]     Test3 (stereo options)
-182: [00:53:28]     Done (stereo options)
-182: [00:53:28] -------------------------------------
-182: [00:53:28]     Test4 (trusted smiles)
-163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: TOTAL Time elapsed 11.94 seconds
-171/235 Test #163: testFMCS ...............................   Passed   11.98 sec
-test 183
-        Start 183: substructLibraryCatchTest
-
-183: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
-183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
-183: Test timeout computed to be: 1500
-182: [00:53:28]     Done (trusted smiles)
-182: [00:53:28] -------------------------------------
-182: [00:53:28]     Testing C++ docs
-182: [00:53:28]     Done (C++ doc tests)
-182: [00:53:28] -------------------------------------
-182: [00:53:28]     Testing C++ ring query: PatternHolder
-182: [00:53:28]     Done (C++ ring query tests)
-182: [00:53:28] -------------------------------------
-182: [00:53:28]     Testing C++ ring query: TautomerPatternHolder
-182: [00:53:28]     Done (C++ ring query tests)
-182: [00:53:28] -------------------------------------
-182: [00:53:28]    Add Patterns 
-148: .........[00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
+182: [20:55:20] -------------------------------------
+182: [20:55:20]     Test1
+182: [20:55:20]   done
+182: [20:55:20] -------------------------------------
+182: [20:55:20]     Test2
+148: .........[20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:21] Molecule does not have explicit Hs. Consider calling AddHs()
+182: [20:55:21]   done
+182: [20:55:21] -------------------------------------
+182: [20:55:21]     Test3 (stereo options)
+182: [20:55:21]     Done (stereo options)
+182: [20:55:21] -------------------------------------
+182: [20:55:21]     Test4 (trusted smiles)
+182: [20:55:21]     Done (trusted smiles)
+182: [20:55:21] -------------------------------------
+182: [20:55:21]     Testing C++ docs
+182: [20:55:21]     Done (C++ doc tests)
+182: [20:55:21] -------------------------------------
+182: [20:55:21]     Testing C++ ring query: PatternHolder
+182: [20:55:21]     Done (C++ ring query tests)
+182: [20:55:21] -------------------------------------
+182: [20:55:21]     Testing C++ ring query: TautomerPatternHolder
+182: [20:55:21]     Done (C++ ring query tests)
+182: [20:55:21] -------------------------------------
+182: [20:55:21]    Add Patterns 
+150: 	---------------------------------
+150: 	 test O3A multithreading bug
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A multithreading
+150: 
+150: generating reference data
 176: VS001: PASSED
 176: VS002: PASSED
 176: VS003: PASSED
@@ -31375,1166 +31401,1168 @@
 176: VS300: PASSED
 176: Check finished: 0 molecules failed.
 176: Failed: 
-172/235 Test #176: pyCIPLabelsValidation ..................   Passed    6.03 sec
+171/235 Test #176: pyCIPLabelsValidation ..................   Passed   14.38 sec
+test 183
+        Start 183: substructLibraryCatchTest
+
+183: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
+183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
+183: Test timeout computed to be: 1500
+163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: TOTAL Time elapsed 28.42 seconds
+172/235 Test #163: testFMCS ...............................   Passed   28.48 sec
 test 184
         Start 184: pySubstructLibrary
 
 184: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
 184: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
 184: Test timeout computed to be: 1500
-170: Randomness seeded to: 4168701101
-170: [00:53:29] Timed out after 11 seconds.
-183: Randomness seeded to: 416130231
+150: processing
+150:  launch :0
+150:  launch :1
+150:  launch :2
+150:  launch :3
+183: Randomness seeded to: 1420364669
 183: ===============================================================================
 183: All tests passed (171 assertions in 5 test cases)
 183: 
-173/235 Test #183: substructLibraryCatchTest ..............   Passed    1.27 sec
+173/235 Test #183: substructLibraryCatchTest ..............   Passed    1.95 sec
 test 185
         Start 185: testRGroupDecomp
 
 185: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
 185: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
 185: Test timeout computed to be: 1500
-185: [00:53:30] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
-185: [00:53:30] WARNING: not removing hydrogen atom with dummy atom neighbors
+173: Query 0
+185: [20:55:27] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
+185: [20:55:27] WARNING: not removing hydrogen atom with dummy atom neighbors
+182: [20:55:27] -------------------------------------
+182: [20:55:27]    testing PatternHolder
+182: [20:55:27] -------------------------------------
+182: [20:55:27]    testing TautomerPatternHolder
+182: [20:55:28] -------------------------------------
+182: [20:55:28]    testSegFaultInHolder
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] [20:55:28] [20:55:28] SMILES Parse Error: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^[20:55:28] [20:55:28] ^
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[20:55:28] 
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error[20:55:28] 
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] [20:55:28] [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: [20:55:28] syntax error[20:55:28] SMILES Parse Error:  while parsing: SMILES Parse Error: dsafsdfFailed parsing SMILES 'dsafsdf' for input: '
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfSMILES Parse Error: syntax error while parsing: '[20:55:28] SMILES Parse Error: check for mistakes around position dsafsdf'
+182: 1
+182: :
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] [20:55:28] dsafsdf
+182: [20:55:28] SMILESSMILES Parse Error: syntax error while parsing:  Parse Error: SMILES Parse Error: check for mistakes around position 1:Failed parsing SMILES 'dsafsdf'dsafsdf
+182:  for input: '
+182: [20:55:28] dsafsdfdsafsdf[20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] '
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: [20:55:28] [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf
+182: [20:55:28] '
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: ^
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] syntax error while parsing: dsafsdf
+182: SMILES Parse Error: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: :
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] SMILES[20:55:28] [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: [20:55:28] [20:55:28] ^ Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] [20:55:28] 
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES[20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:28] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:28] dsafsdf
+182: [20:55:28] ^
+182: [20:55:28] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:28] -------------------------------------
+182: [20:55:28]    Results do not depend on numThreads 
 148: ...
 148: ----------------------------------------------------------------------
-148: Ran 22 tests in 16.519s
+148: Ran 22 tests in 36.543s
 148: 
 148: OK
-174/235 Test #148: pyDistGeomHelpers ......................   Passed   16.90 sec
+174/235 Test #148: pyDistGeomHelpers ......................   Passed   37.24 sec
 test 186
         Start 186: testRGroupDecompInternals
 
 186: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
 186: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
 186: Test timeout computed to be: 1500
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
-175/235 Test #186: testRGroupDecompInternals ..............   Passed    0.04 sec
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:28] WARNING: not removing hydrogen atom with dummy atom neighbors
+175/235 Test #186: testRGroupDecompInternals ..............   Passed    0.10 sec
 test 187
         Start 187: rgroupCatchTests
 
 187: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
 187: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
 187: Test timeout computed to be: 1500
-173: Query 0
-187: Randomness seeded to: 741502749
+187: Randomness seeded to: 1882958658
 187: ===============================================================================
 187: All tests passed (1475 assertions in 14 test cases)
 187: 
-176/235 Test #187: rgroupCatchTests .......................   Passed    0.39 sec
+176/235 Test #187: rgroupCatchTests .......................   Passed    0.41 sec
 test 188
         Start 188: pyRGroupDecomposition
 
 188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
 188: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
 188: Test timeout computed to be: 1500
-150: 	---------------------------------
-150: 	 test O3A multithreading bug
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A multithreading
-150: 
-150: generating reference data
 185: iterative
-150: processing
-150:  launch :0
-150:  launch :1
-150:  launch :2
-150:  launch :3
 185: bulk
-182: [00:53:33] -------------------------------------
-182: [00:53:33]    testing PatternHolder
-182: [00:53:33] -------------------------------------
-182: [00:53:33]    testing TautomerPatternHolder
-173: Query 1
-182: [00:53:33] -------------------------------------
-182: [00:53:33]    testSegFaultInHolder
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] [00:53:33] [00:53:33] SMILES Parse Error: syntax errorSMILES Parse Error: dsafsdf
-182: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182:  while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
 188: ....................
 188: ----------------------------------------------------------------------
-188: Ran 20 tests in 1.524s
+188: Ran 20 tests in 2.156s
 188: 
 188: OK
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] [00:53:33] [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: ^
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] [00:53:33] [00:53:33] SMILES Parse Error: syntax error while parsing: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
-182: [00:53:33] dsafsdf
-182: [00:53:33] ^
-182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [00:53:33] -------------------------------------
-182: [00:53:33]    Results do not depend on numThreads 
-177/235 Test #188: pyRGroupDecomposition ..................   Passed    2.32 sec
+177/235 Test #188: pyRGroupDecomposition ..................   Passed    2.69 sec
 test 189
         Start 189: molInterchangeTest1
 
 189: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
 189: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange
 189: Test timeout computed to be: 1500
-189: [00:53:33] test1: basics
-189: [00:53:33] done
-189: [00:53:33] test2: basic writing
+189: [20:55:31] test1: basics
+189: [20:55:31] done
+189: [20:55:31] test2: basic writing
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]}
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]}
-189: [00:53:33] done
-189: [00:53:33] test3: writing conformers
+189: [20:55:31] done
+189: [20:55:31] test3: writing conformers
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1988,-0.0452],[-0.3332,0.4556],[0.166,1.322],[0.5332,-0.0438],[-2.0652,0.4542],[-0.834,1.3212]]},{"dim":3,"coords":[[0.9554,-0.3743,-0.4679],[-0.3616,-0.1311,-0.0795],[-0.5097,1.6256,0.1706],[-0.5779,-0.792,1.1042],[1.5277,0.1064,0.1628],[-1.0339,-0.4346,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
-189: [00:53:33] done
-189: [00:53:33] test4: writing properties
+189: [20:55:31] done
+189: [20:55:31] test4: writing properties
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
-189: [00:53:33] done
-189: [00:53:33] test5: writing partial charges
+189: [20:55:31] done
+189: [20:55:31] test5: writing partial charges
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[0.5,-0.5]}]}]}
-189: [00:53:33] testing parse options
-189: [00:53:33] done
-189: [00:53:33] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
+189: [20:55:31] testing parse options
+189: [20:55:31] done
+189: [20:55:31] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
-189: [00:53:33] done
-189: [00:53:33] testing 'either' stereochemistry
-189: [00:53:33] done
-178/235 Test #189: molInterchangeTest1 ....................   Passed    0.04 sec
+189: [20:55:31] done
+189: [20:55:31] testing 'either' stereochemistry
+189: [20:55:31] done
+178/235 Test #189: molInterchangeTest1 ....................   Passed    0.05 sec
 test 190
         Start 190: molInterchangeCatchTest
 
 190: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
 190: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange
 190: Test timeout computed to be: 1500
-190: Randomness seeded to: 3545844335
-190: [00:53:33]  unrecognized bond type 12 set to zero while writing
-190: [00:53:33]  unrecognized bond type 0 set to zero while writing
+190: Randomness seeded to: 1158337668
+190: [20:55:31]  unrecognized bond type 12 set to zero while writing
+190: [20:55:31]  unrecognized bond type 0 set to zero while writing
 190: ===============================================================================
 190: All tests passed (125 assertions in 7 test cases)
 190: 
-179/235 Test #190: molInterchangeCatchTest ................   Passed    0.04 sec
+179/235 Test #190: molInterchangeCatchTest ................   Passed    0.05 sec
 test 191
         Start 191: pyMolInterchange
 
 191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
 191: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
 191: Test timeout computed to be: 1500
-33: [00:53:34] Finished
-33: [00:53:34] -------------------------------------
-33: [00:53:34]     Test github1843: RWMol.clear() should not destroy ring pointer.
-33: [00:53:34] Finished
-33: [00:53:34] -------------------------------------
-33: [00:53:34]     Test Github 6370: non-physical radical counts being preserved
-33: [00:53:34] Finished
-180/235 Test  #33: graphmolTest1 ..........................   Passed   28.66 sec
+191: ..
+191: ----------------------------------------------------------------------
+191: Ran 2 tests in 0.007s
+191: 
+191: OK
+180/235 Test #191: pyMolInterchange .......................   Passed    0.34 sec
 test 192
         Start 192: testSLNParse
 
@@ -32554,64 +32582,340 @@
 192: 	2 0->3 order: 1
 192: 	3 0->4 order: 1
 192: 	4 0->5 order: 1
-192: [00:53:34] SLN Parse Error: syntax error while parsing: CH4[I=13]
-192: [00:53:34] Failed parsing SLN 'CH4[I=13]'
-192: [00:53:34] SLN Parser error: Atom ID 1 appears *after* its ring closure.
-192: [00:53:34] SLN Parser error: Ring closure 1 does not have a corresponding opener.
-192: [00:53:34] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
-192: [00:53:34] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
-192: [00:53:34] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
-192: [00:53:34] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
-192: [00:53:34] SLN Parse Error: syntax error while parsing: CH4	fff
-192: [00:53:34] Failed parsing SLN 'CH4	fff'
-192: [00:53:34] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
-192: [00:53:34] Failed parsing SLN 'C[charge=+1] 	foo'
-192: [00:53:34] Query property 'is' ignored on non-query atom
-192: [00:53:34] Query property 'is' ignored on non-query atom
-181/235 Test #192: testSLNParse ...........................   Passed    0.03 sec
+192: [20:55:32] SLN Parse Error: syntax error while parsing: CH4[I=13]
+192: [20:55:32] Failed parsing SLN 'CH4[I=13]'
+192: [20:55:32] SLN Parser error: Atom ID 1 appears *after* its ring closure.
+192: [20:55:32] SLN Parser error: Ring closure 1 does not have a corresponding opener.
+192: [20:55:32] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
+192: [20:55:32] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
+192: [20:55:32] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
+192: [20:55:32] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
+192: [20:55:32] SLN Parse Error: syntax error while parsing: CH4	fff
+192: [20:55:32] Failed parsing SLN 'CH4	fff'
+192: [20:55:32] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
+192: [20:55:32] Failed parsing SLN 'C[charge=+1] 	foo'
+192: [20:55:32] Query property 'is' ignored on non-query atom
+192: [20:55:32] Query property 'is' ignored on non-query atom
+181/235 Test #192: testSLNParse ...........................   Passed    0.02 sec
 test 193
         Start 193: pySLNParse
 
 193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/testSLN.py"
 193: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap
 193: Test timeout computed to be: 1500
-191: ..
-191: ----------------------------------------------------------------------
-191: Ran 2 tests in 0.015s
-191: 
-191: OK
-182/235 Test #191: pyMolInterchange .......................   Passed    0.51 sec
+193: ..
+193: ----------------------------------------------------------------------
+193: Ran 2 tests in 0.014s
+193: 
+193: OK
+182/235 Test #193: pySLNParse .............................   Passed    0.39 sec
 test 194
         Start 194: pyGraphMolWrap
 
 194: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rough_test.py"
 194: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 194: Test timeout computed to be: 1500
-193: ..
-193: ----------------------------------------------------------------------
-193: Ran 2 tests in 0.008s
-193: 
-193: OK
-183/235 Test #193: pySLNParse .............................   Passed    0.24 sec
+182: [20:55:33] -------------------------------------
+182: [20:55:33]    Results do not depend on numThreads (all same) 
+185: bulk, no symmetry
+173: Query 1
+194: ..............[20:55:33] SMARTS Parse Error: syntax error while parsing: fiib
+194: [20:55:33] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
+194: ....[20:55:33] ERROR: Problems encountered parsing data fields
+194: [20:55:33] ERROR: moving to the beginning of the next molecule
+194: [20:55:33] ERROR: Problems encountered parsing data fields
+194: [20:55:33] ERROR: moving to the beginning of the next molecule
+194: [20:55:33] Spurious data before the first property will be ignored
+194: [20:55:33] Property <ID> will be truncated after the first blank line
+194: [20:55:33] Property <ID> will be truncated after the first blank line
+194: [20:55:33] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [20:55:33] ERROR: Problems encountered parsing data fields
+194: [20:55:33] ERROR: moving to the beginning of the next molecule
+194: [20:55:33] ERROR: Problems encountered parsing data fields
+194: [20:55:33] ERROR: moving to the beginning of the next molecule
+194: [20:55:33] Spurious data before the first property will be ignored
+194: [20:55:33] Property <ID> will be truncated after the first blank line
+194: [20:55:33] Property <ID> will be truncated after the first blank line
+194: [20:55:33] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [20:55:33] ERROR: Problems encountered parsing data fields
+194: [20:55:33] ERROR: moving to the beginning of the next molecule
+194: [20:55:33] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [20:55:33] ERROR: Problems encountered parsing data fields
+194: [20:55:33] ERROR: moving to the beginning of the next molecule
+194: [20:55:33] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: .[20:55:33] SMILES Parse Error: syntax error while parsing: fail
+194: [20:55:33] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:33] fail
+194: [20:55:33] ^
+194: [20:55:33] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+194: [20:55:33] ERROR: Smiles parse error on line 2
+194: [20:55:33] ERROR: Cannot create molecule from : 'fail'
+194: >>> This may result in an infinite loop.  It should finish almost instantly
+194: <<< OK, it finished.
+194: ............[20:55:33] Explicit valence for atom # 1 C, 5, is greater than permitted
+182: [20:55:33] -------------------------------------
+182: [20:55:33]    testTautomerQueries
+194: ......[20:55:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [20:55:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [20:55:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [20:55:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: .inWedges:  [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)|
+182: [20:55:33] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
+182: [20:55:33] -------------------------------------
+182: [20:55:33]   github3881 recursive smarts with rings 
+183/235 Test #182: substructLibraryTest ...................   Passed   12.94 sec
 test 195
         Start 195: pyTestConformerWrap
 
 195: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testConformer.py"
 195: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 195: Test timeout computed to be: 1500
+194: ........[20:55:33] non-ring atom 0 marked aromatic
+194: [20:55:33] non-ring atom 0 marked aromatic
+194: [20:55:33] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 12 < 6
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# 0x0000FFFF9D0C6C70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x0000000000531670 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x00000000004AB0F4 in /usr/bin/python3
+194: 33# 0x0000000000662B58 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x0000000000531670 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x00000000004AB0F4 in /usr/bin/python3
+194: 39# 0x0000000000662B58 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x0000000000531670 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x00000000004AB0F4 in /usr/bin/python3
+194: 45# 0x0000000000662B58 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x0000000000503430 in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x00000000005FD91C in /usr/bin/python3
+194: 53# 0x00000000005F7E70 in /usr/bin/python3
+194: 54# 0x00000000006258F0 in /usr/bin/python3
+194: 55# 0x0000000000625034 in /usr/bin/python3
+194: 56# 0x0000000000624DCC in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+194: [20:55:33] non-ring atom 0 marked aromatic
+194: [20:55:33] non-ring atom 0 marked aromatic
+194: [20:55:33] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 12 < 6
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# 0x0000FFFF9D0C6C70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x0000000000531670 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x00000000004AB0F4 in /usr/bin/python3
+194: 33# 0x0000000000662B58 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x0000000000531670 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x00000000004AB0F4 in /usr/bin/python3
+194: 39# 0x0000000000662B58 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x0000000000531670 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x00000000004AB0F4 in /usr/bin/python3
+194: 45# 0x0000000000662B58 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x0000000000503430 in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x00000000005FD91C in /usr/bin/python3
+194: 53# 0x00000000005F7E70 in /usr/bin/python3
+194: 54# 0x00000000006258F0 in /usr/bin/python3
+194: 55# 0x0000000000625034 in /usr/bin/python3
+194: 56# 0x0000000000624DCC in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+194: ...............[20:55:33] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+194: [20:55:33] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+194: ..............[20:55:33] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+194: [20:55:33] Explicit valence for atom # 1 C, 5, is greater than permitted
 195: ......
 195: ----------------------------------------------------------------------
-195: Ran 6 tests in 0.008s
+195: Ran 6 tests in 0.028s
 195: 
 195: OK
-184/235 Test #195: pyTestConformerWrap ....................   Passed    0.20 sec
+184/235 Test #195: pyTestConformerWrap ....................   Passed    0.66 sec
 test 196
         Start 196: pyTestTrajectory
 
 196: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testTrajectory.py"
 196: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 196: Test timeout computed to be: 1500
-196: [00:53:34] 
+185: [20:55:34] Relabelling existing label
+194: ............................[20:55:34]  unable to set wavy bonds for double bonds: 3
+194: .............[20:55:34] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 6 < 5
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x0000000000531670 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x00000000004AB0F4 in /usr/bin/python3
+194: 33# 0x0000000000662B58 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x0000000000531670 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x00000000004AB0F4 in /usr/bin/python3
+194: 39# 0x0000000000662B58 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x0000000000531670 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x00000000004AB0F4 in /usr/bin/python3
+194: 45# 0x0000000000662B58 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x0000000000503430 in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x00000000005FD91C in /usr/bin/python3
+194: 53# 0x00000000005F7E70 in /usr/bin/python3
+194: 54# 0x00000000006258F0 in /usr/bin/python3
+194: 55# 0x0000000000625034 in /usr/bin/python3
+194: 56# 0x0000000000624DCC in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+185: Best mapping
+196: [20:55:34] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32625,23 +32929,23 @@
 196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -32673,13 +32977,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[00:53:34] 
+196: .[20:55:34] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32693,23 +32997,23 @@
 196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -32741,37 +33045,20 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-194: ..............[00:53:35] SMARTS Parse Error: syntax error while parsing: fiib
-194: [00:53:35] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
-194: ....[00:53:35] ERROR: Problems encountered parsing data fields
-194: [00:53:35] ERROR: moving to the beginning of the next molecule
-194: [00:53:35] ERROR: Problems encountered parsing data fields
-194: [00:53:35] ERROR: moving to the beginning of the next molecule
-194: [00:53:35] Spurious data before the first property will be ignored
-194: [00:53:35] Property <ID> will be truncated after the first blank line
-194: [00:53:35] Property <ID> will be truncated after the first blank line
-194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [00:53:35] ERROR: Problems encountered parsing data fields
-194: [00:53:35] ERROR: moving to the beginning of the next molecule
-194: [00:53:35] ERROR: Problems encountered parsing data fields
-194: [00:53:35] ERROR: moving to the beginning of the next molecule
-194: [00:53:35] Spurious data before the first property will be ignored
-194: [00:53:35] Property <ID> will be truncated after the first blank line
-194: [00:53:35] Property <ID> will be truncated after the first blank line
-194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [00:53:35] ERROR: Problems encountered parsing data fields
-194: [00:53:35] ERROR: moving to the beginning of the next molecule
-194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [00:53:35] ERROR: Problems encountered parsing data fields
-194: [00:53:35] ERROR: moving to the beginning of the next molecule
-194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-196: .[00:53:35] 
+185/235 Test #185: testRGroupDecomp .......................   Passed    8.41 sec
+test 197
+        Start 197: pyTestSGroups
+
+197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testSGroups.py"
+197: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
+197: Test timeout computed to be: 1500
+196: .[20:55:35] 
 196: 
 196: ****
 196: Range Error
@@ -32786,23 +33073,23 @@
 196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 23# _PyObject_MakeTpCall in /usr/bin/python3
 196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 25# 0x0000000000531670 in /usr/bin/python3
@@ -32834,13 +33121,13 @@
 196: 51# 0x0000000000624DCC in /usr/bin/python3
 196: 52# Py_RunMain in /usr/bin/python3
 196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 54# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 56# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[00:53:35] 
+196: .[20:55:35] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32854,23 +33141,23 @@
 196:  2# RDKit::readAmberTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -32902,22 +33189,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-194: .[00:53:35] SMILES Parse Error: syntax error while parsing: fail
-194: [00:53:35] SMILES Parse Error: check for mistakes around position 1:
-194: [00:53:35] fail
-194: [00:53:35] ^
-194: [00:53:35] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-194: [00:53:35] ERROR: Smiles parse error on line 2
-194: [00:53:35] ERROR: Cannot create molecule from : 'fail'
-194: >>> This may result in an infinite loop.  It should finish almost instantly
-194: <<< OK, it finished.
-196: ..[00:53:35] 
+196: ..[20:55:35] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32931,23 +33209,23 @@
 196:  2# RDKit::readGromosTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -32979,13 +33257,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[00:53:35] 
+196: .[20:55:35] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32999,23 +33277,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -33047,13 +33325,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [00:53:35] 
+196: [20:55:35] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -33067,23 +33345,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -33115,13 +33393,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[00:53:35] 
+196: .[20:55:35] 
 196: 
 196: ****
 196: Range Error
@@ -33136,23 +33414,23 @@
 196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 23# _PyObject_MakeTpCall in /usr/bin/python3
 196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 25# 0x0000000000531670 in /usr/bin/python3
@@ -33184,13 +33462,13 @@
 196: 51# 0x0000000000624DCC in /usr/bin/python3
 196: 52# Py_RunMain in /usr/bin/python3
 196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 54# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 56# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [00:53:35] 
+196: [20:55:35] 
 196: 
 196: ****
 196: Range Error
@@ -33204,23 +33482,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -33252,13 +33530,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[00:53:35] 
+196: .[20:55:35] 
 196: 
 196: ****
 196: Range Error
@@ -33273,23 +33551,23 @@
 196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 23# _PyObject_MakeTpCall in /usr/bin/python3
 196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 25# 0x0000000000531670 in /usr/bin/python3
@@ -33321,13 +33599,13 @@
 196: 51# 0x0000000000624DCC in /usr/bin/python3
 196: 52# Py_RunMain in /usr/bin/python3
 196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 54# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 56# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [00:53:35] 
+196: [20:55:35] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -33341,23 +33619,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -33389,13 +33667,13 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [00:53:35] 
+196: [20:55:35] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -33409,23 +33687,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x0000FFFF87C12680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x0000FFFF861EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x0000FFFF861EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x0000FFFF861EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x0000FFFF861EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x0000FFFF861EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x0000FFFF87C0F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x0000000000531670 in /usr/bin/python3
@@ -33457,7 +33735,7 @@
 196: 50# 0x0000000000624DCC in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
+196: 53# 0x0000FFFF883F229C in /lib/aarch64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
@@ -33465,351 +33743,97 @@
 196: 
 196: .
 196: ----------------------------------------------------------------------
-196: Ran 9 tests in 0.199s
+196: Ran 9 tests in 0.615s
 196: 
 196: OK
 196: Testing Trajectory wrapper
-194: ............[00:53:35] Explicit valence for atom # 1 C, 5, is greater than permitted
-185/235 Test #196: pyTestTrajectory .......................   Passed    0.42 sec
-test 197
-        Start 197: pyTestSGroups
-
-197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testSGroups.py"
-197: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
-197: Test timeout computed to be: 1500
-194: ......[00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: .inWedges:  [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)|
-194: ........[00:53:35] non-ring atom 0 marked aromatic
-194: [00:53:35] non-ring atom 0 marked aromatic
-194: [00:53:35] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 12 < 6
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# 0x0000FFFF8D9B6C70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x0000000000531670 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x00000000004AB0F4 in /usr/bin/python3
-194: 33# 0x0000000000662B58 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x0000000000531670 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x00000000004AB0F4 in /usr/bin/python3
-194: 39# 0x0000000000662B58 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x0000000000531670 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x00000000004AB0F4 in /usr/bin/python3
-194: 45# 0x0000000000662B58 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x0000000000503430 in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x00000000005FD91C in /usr/bin/python3
-194: 53# 0x00000000005F7E70 in /usr/bin/python3
-194: 54# 0x00000000006258F0 in /usr/bin/python3
-194: 55# 0x0000000000625034 in /usr/bin/python3
-194: 56# 0x0000000000624DCC in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-194: [00:53:35] non-ring atom 0 marked aromatic
-194: [00:53:35] non-ring atom 0 marked aromatic
-194: [00:53:35] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 12 < 6
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# 0x0000FFFF8D9B6C70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x0000000000531670 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x00000000004AB0F4 in /usr/bin/python3
-194: 33# 0x0000000000662B58 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x0000000000531670 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x00000000004AB0F4 in /usr/bin/python3
-194: 39# 0x0000000000662B58 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x0000000000531670 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x00000000004AB0F4 in /usr/bin/python3
-194: 45# 0x0000000000662B58 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x0000000000503430 in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x00000000005FD91C in /usr/bin/python3
-194: 53# 0x00000000005F7E70 in /usr/bin/python3
-194: 54# 0x00000000006258F0 in /usr/bin/python3
-194: 55# 0x0000000000625034 in /usr/bin/python3
-194: 56# 0x0000000000624DCC in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-194: ...............[00:53:35] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-194: [00:53:35] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-173: Query 2
 197: .............
 197: ----------------------------------------------------------------------
-197: Ran 13 tests in 0.012s
+197: Ran 13 tests in 0.037s
 197: 
 197: OK
 197: Testing SubstanceGroups wrapper
-194: ..............[00:53:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-194: [00:53:35] Explicit valence for atom # 1 C, 5, is greater than permitted
-186/235 Test #197: pyTestSGroups ..........................   Passed    0.20 sec
+186/235 Test #197: pyTestSGroups ..........................   Passed    0.47 sec
 test 198
         Start 198: pyTestThreads
 
 198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testThreads.py"
 198: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 198: Test timeout computed to be: 1500
-185: bulk, no symmetry
-185: [00:53:35] Relabelling existing label
-194: ............................[00:53:35]  unable to set wavy bonds for double bonds: 3
-194: .............[00:53:36] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 6 < 5
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x0000000000531670 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x00000000004AB0F4 in /usr/bin/python3
-194: 33# 0x0000000000662B58 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x0000000000531670 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x00000000004AB0F4 in /usr/bin/python3
-194: 39# 0x0000000000662B58 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x0000000000531670 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x00000000004AB0F4 in /usr/bin/python3
-194: 45# 0x0000000000662B58 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x0000000000503430 in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x00000000005FD91C in /usr/bin/python3
-194: 53# 0x00000000005F7E70 in /usr/bin/python3
-194: 54# 0x00000000006258F0 in /usr/bin/python3
-194: 55# 0x0000000000625034 in /usr/bin/python3
-194: 56# 0x0000000000624DCC in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-185: Best mapping
-187/235 Test #185: testRGroupDecomp .......................   Passed    6.36 sec
+187/235 Test #196: pyTestTrajectory .......................   Passed    1.35 sec
 test 199
         Start 199: pyTestMultithreadedMolSupplier
 
 199: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
 199: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 199: Test timeout computed to be: 1500
-182: [00:53:36] -------------------------------------
-182: [00:53:36]    Results do not depend on numThreads (all same) 
-182: [00:53:36] -------------------------------------
-182: [00:53:36]    testTautomerQueries
-182: [00:53:36] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
-182: [00:53:36] -------------------------------------
-182: [00:53:36]   github3881 recursive smarts with rings 
-188/235 Test #182: substructLibraryTest ...................   Passed    8.90 sec
+194: ....................[20:55:36] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:36] Explicit valence for atom # 6 F, 2, is greater than permitted
+194: [20:55:36] Can't kekulize mol.  Unkekulized atoms: 3 4 5
+199: .s.
+199: ----------------------------------------------------------------------
+199: Ran 3 tests in 0.213s
+199: 
+199: OK (skipped=1)
+199: Testing Smiles and SD MultithreadedMolSupplier
+194: .................[20:55:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+188/235 Test #199: pyTestMultithreadedMolSupplier .........   Passed    0.88 sec
 test 200
         Start 200: pyTestPropertyLists
 
 200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testPropertyLists.py"
 200: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 200: Test timeout computed to be: 1500
-199: .s.
-199: ----------------------------------------------------------------------
-199: Ran 3 tests in 0.245s
-199: 
-199: OK (skipped=1)
-199: Testing Smiles and SD MultithreadedMolSupplier
-189/235 Test #199: pyTestMultithreadedMolSupplier .........   Passed    0.65 sec
+200: [20:55:36] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [20:55:36] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [20:55:36] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: .[20:55:36] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [20:55:36] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [20:55:36] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: ...[20:55:36] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [20:55:36] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [20:55:36] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: .
+200: ----------------------------------------------------------------------
+200: Ran 5 tests in 0.012s
+200: 
+200: OK
+189/235 Test #200: pyTestPropertyLists ....................   Passed    0.45 sec
 test 201
         Start 201: pyCDXMLTest
 
 201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/test_cdxml.py"
 201: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 201: Test timeout computed to be: 1500
-200: [00:53:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [00:53:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [00:53:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: .[00:53:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [00:53:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [00:53:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: ...[00:53:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [00:53:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [00:53:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: .
-200: ----------------------------------------------------------------------
-200: Ran 5 tests in 0.031s
-200: 
-200: OK
-190/235 Test #200: pyTestPropertyLists ....................   Passed    0.46 sec
+201: .
+201: ----------------------------------------------------------------------
+201: Ran 1 test in 0.015s
+201: 
+201: OK
+190/235 Test #201: pyCDXMLTest ............................   Passed    0.26 sec
 test 202
         Start 202: molStandardizeTest
 
 202: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
 202: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 202: Test timeout computed to be: 1500
-201: .
-201: ----------------------------------------------------------------------
-201: Ran 1 test in 0.010s
-201: 
-201: OK
-191/235 Test #201: pyCDXMLTest ............................   Passed    0.49 sec
+173: Query 2
+191/235 Test #202: molStandardizeTest .....................   Passed    1.57 sec
 test 203
         Start 203: molNormalizeTest
 
 203: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
 203: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 203: Test timeout computed to be: 1500
-194: ....................[00:53:37] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:37] Explicit valence for atom # 6 F, 2, is greater than permitted
-194: [00:53:37] Can't kekulize mol.  Unkekulized atoms: 3 4 5
-203: [00:53:37] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
-194: .................[00:53:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-203: [00:53:37] Initializing Normalizer
-203: [00:53:37] Running Normalizer
-203: [00:53:37] Rule applied: BrokenazidetoN=N+=N-
-203: [00:53:37] Initializing Normalizer
-203: [00:53:37] Running Normalizer
-203: [00:53:37] Initializing Normalizer
-203: [00:53:37] Running Normalizer
-192/235 Test #203: molNormalizeTest .......................   Passed    0.14 sec
+203: [20:55:38] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
+203: [20:55:38] Initializing Normalizer
+203: [20:55:38] Running Normalizer
+203: [20:55:38] Rule applied: BrokenazidetoN=N+=N-
+203: [20:55:38] Initializing Normalizer
+203: [20:55:38] Running Normalizer
+203: [20:55:38] Initializing Normalizer
+203: [20:55:38] Running Normalizer
+192/235 Test #203: molNormalizeTest .......................   Passed    0.21 sec
 test 204
         Start 204: molValidateTest
 
@@ -33834,62 +33858,28 @@
 204: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order.
 204: there
 204: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents.
-193/235 Test #204: molValidateTest ........................   Passed    0.06 sec
+193/235 Test #204: molValidateTest ........................   Passed    0.10 sec
 test 205
         Start 205: molChargeTest
 
 205: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
 205: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 205: Test timeout computed to be: 1500
-194/235 Test #205: molChargeTest ..........................   Passed    0.11 sec
+194/235 Test #205: molChargeTest ..........................   Passed    0.13 sec
 test 206
         Start 206: molTautomerTest
 
 206: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
 206: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 206: Test timeout computed to be: 1500
-206: [00:53:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-195/235 Test #202: molStandardizeTest .....................   Passed    1.39 sec
-test 207
-        Start 207: molStandardizeSmallTest
-
-207: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
-207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
-207: Test timeout computed to be: 1500
-196/235 Test #207: molStandardizeSmallTest ................   Passed    0.06 sec
-test 208
-        Start 208: molFragmentTest
-
-208: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
-208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
-208: Test timeout computed to be: 1500
-206: [00:53:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-208: [00:53:38] SMARTS Parse Error: syntax error while parsing: [Cl
-208: [00:53:38] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
-197/235 Test #208: molFragmentTest ........................   Passed    0.08 sec
-test 209
-        Start 209: molStandardizeCatchTest
-
-209: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
-209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
-209: Test timeout computed to be: 1500
-206: [00:53:38] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-206: [00:53:38] Tautomer enumeration stopped at 73 tautomers: canceled
+206: [20:55:39] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+206: [20:55:40] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+206: [20:55:40] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+206: [20:55:40] Tautomer enumeration stopped at 50 tautomers: canceled
 206: Enumeration was canceled due to timeout (50 ms)
-209: Randomness seeded to: 793232376
-209:  * - * - * - * m1
-209:  * - * - * - * m2
-209:  * - * - * - * m1
-209:  * - * - * - * m2
-209: [00:53:39] Can't kekulize mol.  Unkekulized atoms: 3 7
-209: [00:53:39] Can't kekulize mol.  Unkekulized atoms: 3 8
-209: [00:53:39] Can't kekulize mol.  Unkekulized atoms: 2 3 4
 206: 375
 206: Enumeration has completed
-206: [00:53:39] Tautomer enumeration stopped at 119 tautomers: canceled
-147: [00:53:39] UFFTYPER: Unrecognized atom type: S_6+6 (0)
-147: [00:53:39] UFFTYPER: Warning: hybridization set to SP3 for atom 0
-147: [00:53:39] UFFTYPER: Unrecognized charge state for atom: 0
+206: [20:55:41] Tautomer enumeration stopped at 40 tautomers: canceled
 206: CN=c1cc[nH]cn1
 206: CN=c1ccnc[nH]1
 206: CNc1ccncn1
@@ -33897,243 +33887,14 @@
 206: CN=c1cccc[nH]1
 206: CNc1ccccn1
 206: res: CNc1ccccn1
-198/235 Test #206: molTautomerTest ........................   Passed    2.22 sec
-test 210
-        Start 210: molStandardizePipelineTest
-
-210: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
-210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
-210: Test timeout computed to be: 1500
-210: Randomness seeded to: 1862916827
-210: 1 Counts line too short: '' on line4
-210: 1 Could not instantiate a valid molecule from input
-210: 8 Molecule has no atoms
-210: [00:53:39] Explicit valence for atom # 1 N, 4, is greater than permitted
-210: [00:53:39] Explicit valence for atom # 1 N, 4, is greater than permitted
-210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
-210: 128 An error occurred while preparing the molecule for standardization.
-210: 8 The molecule contains an unknown isotope: 3C
-210: 4 Query atom 0 is not allowed
-210: 4 Bond 0 of aromatic type is not allowed
-210: 4 Bond 1 of aromatic type is not allowed
-210: 4 Bond 2 of aromatic type is not allowed
-210: 4 Bond 3 of aromatic type is not allowed
-210: 4 Bond 5 of aromatic type is not allowed
-210: 4 Bond 6 of aromatic type is not allowed
-210: 4 Bond 2 of dative type is not allowed
-210: 4 Bond 3 of dative type is not allowed
-210: 4 Enhanced stereochemistry features are not allowed
-210: 8 The radical at atom 0 is not allowed
-210: [00:53:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-210: 16 The molecule includes non-null Z coordinates
-210: 32 Atom 0 too close to bond 2
-210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
-210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
-210: 64 Atom 0 has adjacent stereo bonds with like orientation
-210: [00:53:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-210: 16 The molecule includes non-null Z coordinates
-210: 64 Atom 0 has adjacent stereo bonds with like orientation
-210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The "wavy" style of bond 4 was removed
-210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 2 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 1 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 1 was removed
-210: 16777216 The "wavy" style of bond 4 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 3 was removed
-210: 16777216 The representation of some functional groups was adjusted.
-210: [00:53:40] Can't kekulize mol.  Unkekulized atoms: 2 3 5
-210: ===============================================================================
-210: All tests passed (268 assertions in 5 test cases)
-210: 
-199/235 Test #210: molStandardizePipelineTest .............   Passed    0.22 sec
-test 211
-        Start 211: pyMolStandardize
-
-211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
-211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
-211: Test timeout computed to be: 1500
-211: .....[00:53:40] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-211: [00:53:40] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-211: .[00:53:40] Tautomer enumeration stopped at 89 tautomers: canceled
-211: Enumeration was canceled due to timeout (50 ms)
-150: 	---------------------------------
-150: 	 test getO3AForProbeConfs
-150: 
-150: ***********************************************************
-200/235 Test #150: testO3AAlign ...........................   Passed   26.68 sec
-test 212
-        Start 212: testScaffoldNetwork
-
-212: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
-212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork
-212: Test timeout computed to be: 1500
-211: Enumeration has completed
-211: [00:53:41] Tautomer enumeration stopped at 88 tautomers: canceled
-212: Randomness seeded to: 4096046699
-212: ===============================================================================
-212: All tests passed (273 assertions in 19 test cases)
-212: 
-211: ..........[00:53:41] Explicit valence for atom # 1 N, 4, is greater than permitted
-211: [00:53:41] Explicit valence for atom # 1 N, 4, is greater than permitted
-201/235 Test #212: testScaffoldNetwork ....................   Passed    0.68 sec
-test 213
-        Start 213: pyScaffoldNetwork
-
-213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
-213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-213: Test timeout computed to be: 1500
-211: [00:53:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-211: [00:53:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-213: .......
-213: ----------------------------------------------------------------------
-213: Ran 7 tests in 0.023s
-213: 
-213: OK
-202/235 Test #213: pyScaffoldNetwork ......................   Passed    0.21 sec
-test 214
-        Start 214: pyScaffoldNetworkPickling
-
-214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
-214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-214: Test timeout computed to be: 1500
-214: .
-214: ----------------------------------------------------------------------
-214: Ran 1 test in 0.013s
-214: 
-214: OK
-203/235 Test #214: pyScaffoldNetworkPickling ..............   Passed    0.23 sec
-test 215
-        Start 215: testMolEnumerator
-
-215: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
-215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator
-215: Test timeout computed to be: 1500
-215: Randomness seeded to: 3607136276
-215: [00:53:42] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
-215: ===============================================================================
-215: All tests passed (321 assertions in 16 test cases)
-215: 
-204/235 Test #215: testMolEnumerator ......................   Passed    0.05 sec
-test 216
-        Start 216: pyMolEnumerator
-
-216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
-216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
-216: Test timeout computed to be: 1500
-216: ...
-216: ----------------------------------------------------------------------
-216: Ran 3 tests in 0.008s
-216: 
-216: OK
-205/235 Test #216: pyMolEnumerator ........................   Passed    0.21 sec
-test 217
-        Start 217: testAbbreviations
-
-217: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
-217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations
-217: Test timeout computed to be: 1500
-217: Randomness seeded to: 1425558573
-217: [00:53:42] SMARTS Parse Error: syntax error while parsing: *fail
-217: [00:53:42] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
-217: [00:53:42] no suitable SubstanceGroups found
-217: ===============================================================================
-217: All tests passed (195 assertions in 12 test cases)
-217: 
-206/235 Test #217: testAbbreviations ......................   Passed    0.03 sec
-test 218
-        Start 218: pyAbbreviations
-
-218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
-218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
-218: Test timeout computed to be: 1500
-218: .......
-218: ----------------------------------------------------------------------
-218: Ran 7 tests in 0.012s
-218: 
-218: OK
-207/235 Test #218: pyAbbreviations ........................   Passed    0.20 sec
-test 219
-        Start 219: generalizedSubstructCatch
-
-219: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
-219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
-219: Test timeout computed to be: 1500
-211: ............[00:53:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-211: [00:53:42] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
-211: [00:53:42] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
-219: Randomness seeded to: 219528124
-219: ===============================================================================
-219: All tests passed (486 assertions in 10 test cases)
-219: 
-208/235 Test #219: generalizedSubstructCatch ..............   Passed    0.18 sec
-test 220
-        Start 220: pyGeneralizedSubstruct
-
-220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
-220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
-220: Test timeout computed to be: 1500
-211: ........[00:53:42] Explicit valence for atom # 1 O, 3, is greater than permitted
-211: ..
-211: ----------------------------------------------------------------------
-211: Ran 38 tests in 2.489s
-211: 
-211: OK
-211: done
-209/235 Test #211: pyMolStandardize .......................   Passed    2.89 sec
-test 221
-        Start 221: testMolProcessing
-
-221: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
-221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing
-221: Test timeout computed to be: 1500
-220: .......
-220: ----------------------------------------------------------------------
-220: Ran 7 tests in 0.167s
-220: 
-220: OK
-210/235 Test #220: pyGeneralizedSubstruct .................   Passed    0.55 sec
-test 222
-        Start 222: pyMolProcessing
+195/235 Test #206: molTautomerTest ........................   Passed    4.15 sec
+test 207
+        Start 207: molStandardizeSmallTest
 
-222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
-222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
-222: Test timeout computed to be: 1500
-194: ..[00:53:43] 
+207: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
+207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
+207: Test timeout computed to be: 1500
+194: ..[20:55:43] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34147,7 +33908,7 @@
 194:  2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol& (RDKit::Atom::*)() const, boost::python::return_internal_reference<1ul, boost::python::default_call_policies>, boost::mpl::vector2<RDKit::ROMol&, RDKit::Atom&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34158,17 +33919,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34200,13 +33961,13 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [00:53:43] 
+194: [20:55:43] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34220,7 +33981,7 @@
 194:  2# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34231,17 +33992,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34273,13 +34034,13 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [00:53:43] 
+194: [20:55:43] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34293,7 +34054,7 @@
 194:  2# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34304,17 +34065,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34346,15 +34107,18 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [00:53:43] 
+194: [20:55:43] 
 194: 
 194: ****
+147: [20:55:43] UFFTYPER: Unrecognized atom type: S_6+6 (0)
+147: [20:55:43] UFFTYPER: Warning: hybridization set to SP3 for atom 0
+147: [20:55:43] UFFTYPER: Unrecognized charge state for atom: 0
 194: Pre-condition Violation
 194: no owner
 194: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
@@ -34366,7 +34130,7 @@
 194:  2# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*), boost::python::default_call_policies, boost::mpl::vector2<bool, RDKit::Atom const*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34377,17 +34141,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34419,13 +34183,13 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [00:53:43] 
+194: [20:55:43] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34439,7 +34203,7 @@
 194:  2# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*, int), boost::python::default_call_policies, boost::mpl::vector3<bool, RDKit::Atom const*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34450,17 +34214,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34492,13 +34256,13 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: .....[00:53:43] 
+194: .....[20:55:43] 
 194: 
 194: ****
 194: Range Error
@@ -34512,7 +34276,7 @@
 194:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<int (RDKit::ReadWriteMol::*)(unsigned int, unsigned int, RDKit::Bond::BondType), boost::python::default_call_policies, boost::mpl::vector5<int, RDKit::ReadWriteMol&, unsigned int, unsigned int, RDKit::Bond::BondType> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34523,17 +34287,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34565,49 +34329,56 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: ......[00:53:43] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-194: [00:53:43] ERROR: Smiles parse error on line 0
-194: [00:53:43] ERROR: Cannot create molecule from : 'c1ccccc'
-194: [00:53:43] SMILES Parse Error: extra open parentheses while parsing: C(C
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 2:
-194: [00:53:43] C(C
-194: [00:53:43] ~^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-194: [00:53:43] ERROR: Smiles parse error on line 3
-194: [00:53:43] ERROR: Cannot create molecule from : 'C(C'
-194: [00:53:43] Explicit valence for atom # 1 C, 5, is greater than permitted
-194: [00:53:43] ERROR: Could not sanitize molecule on line 6
-194: [00:53:43] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-194: [00:53:43] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-194: [00:53:43] ERROR: Smiles parse error on line 0
-194: [00:53:43] ERROR: Cannot create molecule from : 'c1ccccc'
-194: [00:53:43] SMILES Parse Error: extra open parentheses while parsing: C(C
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 2:
-194: [00:53:43] C(C
-194: [00:53:43] ~^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-194: [00:53:43] ERROR: Smiles parse error on line 3
-194: [00:53:43] ERROR: Cannot create molecule from : 'C(C'
-194: [00:53:43] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
-194: [00:53:43] ERROR: Smiles parse error on line 6
-194: [00:53:43] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
-194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] ERROR: Could not sanitize molecule ending on line 21
-194: [00:53:43] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] ERROR: EOF hit while reading atoms
-194: [00:53:43] ERROR: moving to the beginning of the next molecule
-194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] ERROR: Could not sanitize molecule ending on line 21
-194: [00:53:43] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] ERROR: EOF hit while reading atoms
-194: [00:53:43] ERROR: moving to the beginning of the next molecule
-194: ....[00:53:43] 
+196/235 Test #207: molStandardizeSmallTest ................   Passed    0.11 sec
+test 208
+        Start 208: molFragmentTest
+
+208: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
+208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
+208: Test timeout computed to be: 1500
+194: ......[20:55:43] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+194: [20:55:43] ERROR: Smiles parse error on line 0
+194: [20:55:43] ERROR: Cannot create molecule from : 'c1ccccc'
+194: [20:55:43] SMILES Parse Error: extra open parentheses while parsing: C(C
+194: [20:55:43] SMILES Parse Error: check for mistakes around position 2:
+194: [20:55:43] C(C
+194: [20:55:43] ~^
+194: [20:55:43] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+194: [20:55:43] ERROR: Smiles parse error on line 3
+194: [20:55:43] ERROR: Cannot create molecule from : 'C(C'
+194: [20:55:43] Explicit valence for atom # 1 C, 5, is greater than permitted
+194: [20:55:43] ERROR: Could not sanitize molecule on line 6
+194: [20:55:43] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+194: [20:55:43] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+194: [20:55:43] ERROR: Smiles parse error on line 0
+194: [20:55:43] ERROR: Cannot create molecule from : 'c1ccccc'
+194: [20:55:43] SMILES Parse Error: extra open parentheses while parsing: C(C
+194: [20:55:43] SMILES Parse Error: check for mistakes around position 2:
+194: [20:55:43] C(C
+194: [20:55:43] ~^
+194: [20:55:43] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+194: [20:55:43] ERROR: Smiles parse error on line 3
+194: [20:55:43] ERROR: Cannot create molecule from : 'C(C'
+194: [20:55:43] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
+194: [20:55:43] ERROR: Smiles parse error on line 6
+194: [20:55:43] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
+194: [20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] ERROR: Could not sanitize molecule ending on line 21
+194: [20:55:43] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] ERROR: EOF hit while reading atoms
+194: [20:55:43] ERROR: moving to the beginning of the next molecule
+194: [20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] ERROR: Could not sanitize molecule ending on line 21
+194: [20:55:43] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] ERROR: EOF hit while reading atoms
+194: [20:55:43] ERROR: moving to the beginning of the next molecule
+194: ....[20:55:43] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34621,7 +34392,7 @@
 194:  2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::RingInfo::*)() const, boost::python::default_call_policies, boost::mpl::vector2<unsigned int, RDKit::RingInfo&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34632,17 +34403,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34674,13 +34445,22 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: .............[00:53:43] 
+208: [20:55:43] SMARTS Parse Error: syntax error while parsing: [Cl
+208: [20:55:43] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
+197/235 Test #208: molFragmentTest ........................   Passed    0.05 sec
+test 209
+        Start 209: molStandardizeCatchTest
+
+209: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
+209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
+209: Test timeout computed to be: 1500
+194: .............[20:55:43] 
 194: 
 194: ****
 194: Range Error
@@ -34694,7 +34474,7 @@
 194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Atom* (RDKit::ROMol::*)(unsigned int), boost::python::return_internal_reference<1ul, boost::python::with_custodian_and_ward_postcall<0ul, 1ul, boost::python::default_call_policies> >, boost::mpl::vector3<RDKit::Atom*, RDKit::ROMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x0000FFFF9EAC2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34705,17 +34485,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x0000FFFF9CFFB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x0000FFFF9CFFB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x0000FFFF9CFFB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x0000FFFF9CFFB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x0000FFFF9CFFB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x0000FFFF9EABF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x0000000000531670 in /usr/bin/python3
@@ -34747,92 +34527,494 @@
 194: 55# 0x0000000000624DCC in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
+194: 58# 0x0000FFFF9F80229C in /lib/aarch64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: ...[00:53:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-194: ............................[00:53:43] SMILES Parse Error: unclosed ring for input: 'C1CC'
+194: ...[20:55:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+150: 	---------------------------------
+150: 	 test getO3AForProbeConfs
+150: 
+150: ***********************************************************
+198/235 Test #150: testO3AAlign ...........................   Passed   51.11 sec
+test 210
+        Start 210: molStandardizePipelineTest
+
+210: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
+210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
+210: Test timeout computed to be: 1500
+210: Randomness seeded to: 1622289742
+210: 1 Counts line too short: '' on line4
+210: 1 Could not instantiate a valid molecule from input
+194: ............................[20:55:43] SMILES Parse Error: unclosed ring for input: 'C1CC'
 194: ......smi:  CC1=C(n2cccc2[C@H](C)Cl)C(C)CCC1 |(2.679,0.4142,;1.3509,1.181,;0.0229,0.4141,;0.0229,-1.1195,;1.2645,-2.0302,;0.7901,-3.4813,;-0.7446,-3.4813,;-1.219,-2.0302,;-2.679,-1.5609,;-3.0039,-0.0556,;-3.8202,-2.595,;-1.3054,1.1809,;-2.6335,0.4141,;-1.3054,2.7145,;0.0229,3.4813,;1.3509,2.7146,),wD:8.9,2.11,a:2,&1:8|
-194: 863
-194: ..[00:53:43] WARNING: not removing hydrogen atom without neighbors
-194: [00:53:43] WARNING: not removing hydrogen atom with dummy atom neighbors
-194: [00:53:43] WARNING: not removing hydrogen atom with wedged bond
-194: [00:53:43] WARNING: not removing hydrogen atom without neighbors
-194: [00:53:43] WARNING: not removing hydrogen atom with dummy atom neighbors
-194: ......[00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: .[00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [00:53:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: [00:53:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: [00:53:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: ..........[00:53:43] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-194: [00:53:43] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-194: .[00:53:43] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 4:
-194: [00:53:43] CCC |$foo;;bar$| ourname
-194: [00:53:43] ~~~^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-194: ..[00:53:43] SMILES Parse Error: syntax error while parsing: error
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
-194: [00:53:43] error
-194: [00:53:43] ^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
-194: [00:53:43] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
-194: [00:53:43] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
-194: .........................[00:53:43] SMILES Parse Error: syntax error while parsing: garbage_0
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
-194: [00:53:43] garbage_0
-194: [00:53:43] ^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
-194: [00:53:43] SMILES Parse Error: syntax error while parsing: garbage_2
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
-194: [00:53:43] garbage_2
-194: [00:53:43] ^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
-194: [00:53:43] SMILES Parse Error: syntax error while parsing: garbage_4
-194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
-194: [00:53:43] garbage_4
-194: [00:53:43] ^
-194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
+194: 643
+194: ..[20:55:43] WARNING: not removing hydrogen atom without neighbors
+194: [20:55:43] WARNING: not removing hydrogen atom with dummy atom neighbors
+194: [20:55:43] WARNING: not removing hydrogen atom with wedged bond
+194: [20:55:43] WARNING: not removing hydrogen atom without neighbors
+194: [20:55:43] WARNING: not removing hydrogen atom with dummy atom neighbors
+210: 8 Molecule has no atoms
+210: [20:55:43] Explicit valence for atom # 1 N, 4, is greater than permitted
+210: [20:55:43] Explicit valence for atom # 1 N, 4, is greater than permitted
+210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
+210: 128 An error occurred while preparing the molecule for standardization.
+210: 8 The molecule contains an unknown isotope: 3C
+210: 4 Query atom 0 is not allowed
+210: 4 Bond 0 of aromatic type is not allowed
+210: 4 Bond 1 of aromatic type is not allowed
+210: 4 Bond 2 of aromatic type is not allowed
+210: 4 Bond 3 of aromatic type is not allowed
+210: 4 Bond 5 of aromatic type is not allowed
+210: 4 Bond 6 of aromatic type is not allowed
+210: 4 Bond 2 of dative type is not allowed
+210: 4 Bond 3 of dative type is not allowed
+210: 4 Enhanced stereochemistry features are not allowed
+210: 8 The radical at atom 0 is not allowed
+210: [20:55:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+210: 16 The molecule includes non-null Z coordinates
+210: 32 Atom 0 too close to bond 2
+210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
+209: Randomness seeded to: 3902427497
+209:  * - * - * - * m1
+210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
+210: 64 Atom 0 has adjacent stereo bonds with like orientation
+210: [20:55:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+210: 16 The molecule includes non-null Z coordinates
+210: 64 Atom 0 has adjacent stereo bonds with like orientation
+209:  * - * - * - * m2
+210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
+209:  * - * - * - * m1
+209:  * - * - * - * m2
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+209: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 3 7
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+209: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 3 8
+210: 16777216 The representation of some functional groups was adjusted.
+209: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 2 3 4
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The "wavy" style of bond 4 was removed
+210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 2 was removed
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 1 was removed
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 1 was removed
+210: 16777216 The "wavy" style of bond 4 was removed
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 3 was removed
+210: 16777216 The representation of some functional groups was adjusted.
+210: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 2 3 5
+210: ===============================================================================
+210: All tests passed (268 assertions in 5 test cases)
+210: 
+199/235 Test #210: molStandardizePipelineTest .............   Passed    0.36 sec
+test 211
+        Start 211: pyMolStandardize
+
+211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
+211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
+211: Test timeout computed to be: 1500
+194: ......[20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: .[20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: [20:55:43] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: ..........[20:55:44] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+194: [20:55:44] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+194: .[20:55:44] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+194: [20:55:44] SMILES Parse Error: check for mistakes around position 4:
+194: [20:55:44] CCC |$foo;;bar$| ourname
+194: [20:55:44] ~~~^
+194: [20:55:44] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+194: ..[20:55:44] SMILES Parse Error: syntax error while parsing: error
+194: [20:55:44] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:44] error
+194: [20:55:44] ^
+194: [20:55:44] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
+194: [20:55:44] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
+194: [20:55:44] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
+194: [20:55:44] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
+33: [20:55:44] Finished
+33: [20:55:44] -------------------------------------
+33: [20:55:44]     Test github1843: RWMol.clear() should not destroy ring pointer.
+33: [20:55:44] Finished
+33: [20:55:44] -------------------------------------
+33: [20:55:44]     Test Github 6370: non-physical radical counts being preserved
+33: [20:55:44] Finished
+200/235 Test  #33: graphmolTest1 ..........................   Passed   68.54 sec
+test 212
+        Start 212: testScaffoldNetwork
+
+212: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
+212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork
+212: Test timeout computed to be: 1500
+194: .........................[20:55:44] SMILES Parse Error: syntax error while parsing: garbage_0
+194: [20:55:44] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:44] garbage_0
+194: [20:55:44] ^
+194: [20:55:44] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
+194: [20:55:44] SMILES Parse Error: syntax error while parsing: garbage_2
+194: [20:55:44] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:44] garbage_2
+194: [20:55:44] ^
+194: [20:55:44] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
+194: [20:55:44] SMILES Parse Error: syntax error while parsing: garbage_4
+194: [20:55:44] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:44] garbage_4
+194: [20:55:44] ^
+194: [20:55:44] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
 194: ............
 194: ----------------------------------------------------------------------
-194: Ran 279 tests in 8.937s
+194: Ran 279 tests in 10.858s
 194: 
 194: OK
 194: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
 194: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
 194: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
-211/235 Test #194: pyGraphMolWrap .........................   Passed    9.58 sec
+201/235 Test #194: pyGraphMolWrap .........................   Passed   11.67 sec
+test 213
+        Start 213: pyScaffoldNetwork
+
+213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
+213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+213: Test timeout computed to be: 1500
+213: .......
+213: ----------------------------------------------------------------------
+213: Ran 7 tests in 0.049s
+213: 
+213: OK
+211: .....[20:55:44] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+211: [20:55:44] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+202/235 Test #213: pyScaffoldNetwork ......................   Passed    0.51 sec
+test 214
+        Start 214: pyScaffoldNetworkPickling
+
+214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
+214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+214: Test timeout computed to be: 1500
+184: ......[20:55:44] 
+184: 
+184: ****
+184: Pre-condition Violation
+184: RingInfo not initialized
+184: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
+184: Failed Expression: df_init
+184: ----------
+184: Stacktrace:
+184:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+184:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+184:  2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  3# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
+184:  4# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  5# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  7# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  8# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  9# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184: 10# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 11# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 12# 0x0000FFFF9B97EB90 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 13# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 14# 0x0000FFFF9D3E2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 15# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 20# 0x0000FFFF9B8DB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 21# 0x0000FFFF9B8DB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 22# 0x0000FFFF9B8DB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 23# 0x0000FFFF9B8DB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 24# 0x0000FFFF9B8DB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 29# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 30# 0x0000FFFF9D3DF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 31# _PyObject_MakeTpCall in /usr/bin/python3
+184: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 33# 0x0000000000531670 in /usr/bin/python3
+184: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 35# 0x00000000004AB0F4 in /usr/bin/python3
+184: 36# 0x0000000000662B58 in /usr/bin/python3
+184: 37# _PyObject_MakeTpCall in /usr/bin/python3
+184: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 39# 0x0000000000531670 in /usr/bin/python3
+184: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 41# 0x00000000004AB0F4 in /usr/bin/python3
+184: 42# 0x0000000000662B58 in /usr/bin/python3
+184: 43# _PyObject_MakeTpCall in /usr/bin/python3
+184: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 45# 0x0000000000531670 in /usr/bin/python3
+184: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 47# 0x00000000004AB0F4 in /usr/bin/python3
+184: 48# 0x0000000000662B58 in /usr/bin/python3
+184: 49# _PyObject_MakeTpCall in /usr/bin/python3
+184: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 51# 0x0000000000503430 in /usr/bin/python3
+184: 52# _PyObject_MakeTpCall in /usr/bin/python3
+184: 53# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 54# PyEval_EvalCode in /usr/bin/python3
+184: 55# 0x00000000005FD91C in /usr/bin/python3
+184: 56# 0x00000000005F7E70 in /usr/bin/python3
+184: 57# 0x00000000006258F0 in /usr/bin/python3
+184: 58# 0x0000000000625034 in /usr/bin/python3
+184: 59# 0x0000000000624DCC in /usr/bin/python3
+184: 60# Py_RunMain in /usr/bin/python3
+184: 61# Py_BytesMain in /usr/bin/python3
+184: 62# 0x0000FFFF9DDC229C in /lib/aarch64-linux-gnu/libc.so.6
+184: 63# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+184: 64# _start in /usr/bin/python3
+184: ----------
+184: ****
+184: 
+184: [20:55:44] 
+184: 
+184: ****
+184: Pre-condition Violation
+184: RingInfo not initialized
+184: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
+184: Failed Expression: df_init
+184: ----------
+184: Stacktrace:
+184:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+184:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
+184:  2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  3# 0x0000FFFF9B432FA8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  4# Queries::EqualityQuery<int, RDKit::Bond const*, true>::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  7# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  8# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184:  9# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+184: 11# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 12# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 13# 0x0000FFFF9B97EB90 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 14# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 15# 0x0000FFFF9D3E2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 16# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
+184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+184: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 21# 0x0000FFFF9B8DB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 22# 0x0000FFFF9B8DB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 23# 0x0000FFFF9B8DB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 24# 0x0000FFFF9B8DB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 25# 0x0000FFFF9B8DB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
+184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
+184: 30# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 31# 0x0000FFFF9D3DF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+184: 32# _PyObject_MakeTpCall in /usr/bin/python3
+184: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 34# 0x0000000000531670 in /usr/bin/python3
+184: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 36# 0x00000000004AB0F4 in /usr/bin/python3
+184: 37# 0x0000000000662B58 in /usr/bin/python3
+184: 38# _PyObject_MakeTpCall in /usr/bin/python3
+184: 39# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 40# 0x0000000000531670 in /usr/bin/python3
+184: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 42# 0x00000000004AB0F4 in /usr/bin/python3
+184: 43# 0x0000000000662B58 in /usr/bin/python3
+184: 44# _PyObject_MakeTpCall in /usr/bin/python3
+184: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 46# 0x0000000000531670 in /usr/bin/python3
+184: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 48# 0x00000000004AB0F4 in /usr/bin/python3
+184: 49# 0x0000000000662B58 in /usr/bin/python3
+184: 50# _PyObject_MakeTpCall in /usr/bin/python3
+184: 51# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 52# 0x0000000000503430 in /usr/bin/python3
+184: 53# _PyObject_MakeTpCall in /usr/bin/python3
+184: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
+184: 55# PyEval_EvalCode in /usr/bin/python3
+184: 56# 0x00000000005FD91C in /usr/bin/python3
+184: 57# 0x00000000005F7E70 in /usr/bin/python3
+184: 58# 0x00000000006258F0 in /usr/bin/python3
+184: 59# 0x0000000000625034 in /usr/bin/python3
+184: 60# 0x0000000000624DCC in /usr/bin/python3
+184: 61# Py_RunMain in /usr/bin/python3
+184: 62# Py_BytesMain in /usr/bin/python3
+184: 63# 0x0000FFFF9DDC229C in /lib/aarch64-linux-gnu/libc.so.6
+184: 64# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
+184: 65# _start in /usr/bin/python3
+184: ----------
+184: ****
+184: 
+211: .[20:55:44] Tautomer enumeration stopped at 91 tautomers: canceled
+211: Enumeration was canceled due to timeout (50 ms)
+212: Randomness seeded to: 2409701313
+212: ===============================================================================
+212: All tests passed (273 assertions in 19 test cases)
+212: 
+203/235 Test #212: testScaffoldNetwork ....................   Passed    1.02 sec
+test 215
+        Start 215: testMolEnumerator
+
+215: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
+215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator
+215: Test timeout computed to be: 1500
+214: .
+214: ----------------------------------------------------------------------
+214: Ran 1 test in 0.010s
+214: 
+214: OK
+204/235 Test #214: pyScaffoldNetworkPickling ..............   Passed    0.38 sec
+test 216
+        Start 216: pyMolEnumerator
+
+216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
+216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
+216: Test timeout computed to be: 1500
+215: Randomness seeded to: 2349990635
+215: [20:55:45] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
+215: ===============================================================================
+215: All tests passed (321 assertions in 16 test cases)
+215: 
+205/235 Test #215: testMolEnumerator ......................   Passed    0.11 sec
+test 217
+        Start 217: testAbbreviations
+
+217: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
+217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations
+217: Test timeout computed to be: 1500
+217: Randomness seeded to: 4286052015
+217: [20:55:45] SMARTS Parse Error: syntax error while parsing: *fail
+217: [20:55:45] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
+217: [20:55:45] no suitable SubstanceGroups found
+217: ===============================================================================
+217: All tests passed (195 assertions in 12 test cases)
+217: 
+206/235 Test #217: testAbbreviations ......................   Passed    0.08 sec
+test 218
+        Start 218: pyAbbreviations
+
+218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
+218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
+218: Test timeout computed to be: 1500
+216: ...
+216: ----------------------------------------------------------------------
+216: Ran 3 tests in 0.016s
+216: 
+216: OK
+207/235 Test #216: pyMolEnumerator ........................   Passed    0.28 sec
+test 219
+        Start 219: generalizedSubstructCatch
+
+219: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
+219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
+219: Test timeout computed to be: 1500
+218: .......
+218: ----------------------------------------------------------------------
+218: Ran 7 tests in 0.025s
+218: 
+218: OK
+208/235 Test #218: pyAbbreviations ........................   Passed    0.44 sec
+test 220
+        Start 220: pyGeneralizedSubstruct
+
+220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
+220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
+220: Test timeout computed to be: 1500
+219: Randomness seeded to: 466687825
+219: ===============================================================================
+219: All tests passed (486 assertions in 10 test cases)
+219: 
+209/235 Test #219: generalizedSubstructCatch ..............   Passed    0.31 sec
+test 221
+        Start 221: testMolProcessing
+
+221: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
+221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing
+221: Test timeout computed to be: 1500
+220: .......
+220: ----------------------------------------------------------------------
+220: Ran 7 tests in 0.125s
+220: 
+220: OK
+210/235 Test #220: pyGeneralizedSubstruct .................   Passed    0.35 sec
+test 222
+        Start 222: pyMolProcessing
+
+222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
+222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
+222: Test timeout computed to be: 1500
+211: Enumeration has completed
+222: ..
+222: ----------------------------------------------------------------------
+222: Ran 2 tests in 0.536s
+222: 
+222: OK
+211: [20:55:47] Tautomer enumeration stopped at 22 tautomers: canceled
+211/235 Test #222: pyMolProcessing ........................   Passed    1.12 sec
 test 223
         Start 223: testMIF
 
 223: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF
 223: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields
 223: Test timeout computed to be: 1500
-223: Randomness seeded to: 998515122
+223: Randomness seeded to: 2557576455
 223: ===============================================================================
 223: All tests passed (27926 assertions in 8 test cases)
 223: 
-212/235 Test #223: testMIF ................................   Passed    0.06 sec
+212/235 Test #223: testMIF ................................   Passed    0.10 sec
 test 224
         Start 224: pyMIF
 
 224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py"
 224: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap
 224: Test timeout computed to be: 1500
-222: ..
-222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.332s
-222: 
-222: OK
-213/235 Test #222: pyMolProcessing ........................   Passed    0.68 sec
+211: ..........[20:55:47] Explicit valence for atom # 1 N, 4, is greater than permitted
+211: [20:55:47] Explicit valence for atom # 1 N, 4, is greater than permitted
+211: [20:55:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+211: [20:55:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+224: .......
+224: ----------------------------------------------------------------------
+224: Ran 7 tests in 0.145s
+224: 
+224: OK
+224: Testing MIF wrapper
+213/235 Test #224: pyMIF ..................................   Passed    0.76 sec
 test 225
         Start 225: testQuery
 
@@ -34856,7 +35038,7 @@
 225: XOr
 225: pointer and copy foo
 225: Set2
-214/235 Test #225: testQuery ..............................   Passed    0.01 sec
+214/235 Test #225: testQuery ..............................   Passed    0.02 sec
 test 226
         Start 226: testBaseFeatures
 
@@ -34872,7 +35054,7 @@
 226: -------------------------------------
 226: ExplicitFeatures 2D, string type.
 226:   done
-215/235 Test #226: testBaseFeatures .......................   Passed    0.01 sec
+215/235 Test #226: testBaseFeatures .......................   Passed    0.03 sec
 test 227
         Start 227: testMatCalc
 
@@ -34924,62 +35106,88 @@
 227: 9.49496e+07
 227: 2.25618e+08
 227: 1.30219e+08
-216/235 Test #227: testMatCalc ............................   Passed    0.01 sec
+216/235 Test #227: testMatCalc ............................   Passed    0.02 sec
 test 228
         Start 228: pyMatCalc
 
 228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
 228: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
 228: Test timeout computed to be: 1500
-224: .......
-224: ----------------------------------------------------------------------
-224: Ran 7 tests in 0.042s
-224: 
-224: OK
-224: Testing MIF wrapper
-217/235 Test #224: pyMIF ..................................   Passed    0.26 sec
+211: ............[20:55:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+211: [20:55:49] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
+211: [20:55:49] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
+228: .....
+211: ........[20:55:49] Explicit valence for atom # 1 O, 3, is greater than permitted
+228: ----------------------------------------------------------------------
+228: Ran 5 tests in 0.937s
+228: 
+228: OK
+217/235 Test #228: pyMatCalc ..............................   Passed    1.75 sec
 test 229
         Start 229: testSimDivPickers
 
 229: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/testSimDivPickers
 229: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers
 229: Test timeout computed to be: 1500
-229: [00:53:44] -------------------------------------
-229: [00:53:44] Testing github issue 1421: MaxMinPicker picking non-existent element.
-229: [00:53:44] Done
-229: [00:53:44] -------------------------------------
-229: [00:53:44] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
-229: [00:53:44] Done
-218/235 Test #229: testSimDivPickers ......................   Passed    0.04 sec
+229: [20:55:49] -------------------------------------
+229: [20:55:49] Testing github issue 1421: MaxMinPicker picking non-existent element.
+229: [20:55:49] Done
+229: [20:55:49] -------------------------------------
+229: [20:55:49] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
+229: [20:55:49] Done
+218/235 Test #229: testSimDivPickers ......................   Passed    0.02 sec
 test 230
         Start 230: pickersTestsCatch
 
 230: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
 230: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers
 230: Test timeout computed to be: 1500
-219/235 Test #198: pyTestThreads ..........................   Passed    9.03 sec
+211: ..
+211: ----------------------------------------------------------------------
+211: Ran 38 tests in 5.519s
+211: 
+211: OK
+211: done
+230: Randomness seeded to: 3188993162
+230: ===============================================================================
+230: All tests passed (21267 assertions in 1 test case)
+230: 
+219/235 Test #230: pickersTestsCatch ......................   Passed    0.10 sec
 test 231
         Start 231: pySimDivPickers
 
 231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/testPickers.py"
 231: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap
 231: Test timeout computed to be: 1500
-231: [00:53:44] the useCache argument is deprecated and ignored
-230: Randomness seeded to: 757803969
-230: ===============================================================================
-230: All tests passed (21267 assertions in 1 test case)
-230: 
-220/235 Test #230: pickersTestsCatch ......................   Passed    0.30 sec
+220/235 Test #211: pyMolStandardize .......................   Passed    6.16 sec
 test 232
         Start 232: pyRanker
 
 232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/testRanker.py"
 232: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap
 232: Test timeout computed to be: 1500
-231: ...[00:53:44] the useCache argument is deprecated and ignored
-231: [00:53:44] the useCache argument is deprecated and ignored
-231: .[00:53:44] the useCache argument is deprecated and ignored
-232: ..[00:53:44] 
+221: Randomness seeded to: 2918948913
+221: ===============================================================================
+221: All tests passed (203 assertions in 1 test case)
+221: 
+221/235 Test #221: testMolProcessing ......................   Passed    4.41 sec
+test 233
+        Start 233: testChemicalFeatures
+
+233: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
+233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures
+233: Test timeout computed to be: 1500
+233: -----------------------------------------
+233: Test1
+233: Done
+222/235 Test #233: testChemicalFeatures ...................   Passed    0.01 sec
+test 234
+        Start 234: pyFeatures
+
+234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
+234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap
+234: Test timeout computed to be: 1500
+232: ..[20:55:50] 
 232: 
 232: ****
 232: Invariant Violation
@@ -34994,14 +35202,14 @@
 232:  3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
 232:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDInfoTheory::InfoBitRanker*, int), boost::python::default_call_policies, boost::mpl::vector3<_object*, RDInfoTheory::InfoBitRanker*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
 232:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-232:  6# 0x0000FFFFBAD62680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+232:  6# 0x0000FFFFB3242680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 232:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 232:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 232:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 232: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 232: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
 232: 12# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-232: 13# 0x0000FFFFBAD5F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
+232: 13# 0x0000FFFFB323F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
 232: 14# _PyObject_MakeTpCall in /usr/bin/python3
 232: 15# _PyEval_EvalFrameDefault in /usr/bin/python3
 232: 16# 0x0000000000531670 in /usr/bin/python3
@@ -35033,7 +35241,7 @@
 232: 42# 0x0000000000624DCC in /usr/bin/python3
 232: 43# Py_RunMain in /usr/bin/python3
 232: 44# Py_BytesMain in /usr/bin/python3
-232: 45# 0x0000FFFFBC68229C in /lib/aarch64-linux-gnu/libc.so.6
+232: 45# 0x0000FFFFB4B6229C in /lib/aarch64-linux-gnu/libc.so.6
 232: 46# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
 232: 47# _start in /usr/bin/python3
 232: ----------
@@ -35041,226 +35249,43 @@
 232: 
 232: ...
 232: ----------------------------------------------------------------------
-232: Ran 5 tests in 0.013s
+232: Ran 5 tests in 0.029s
 232: 
 232: OK
-221/235 Test #232: pyRanker ...............................   Passed    0.22 sec
-test 233
-        Start 233: testChemicalFeatures
-
-233: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
-233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures
-233: Test timeout computed to be: 1500
-233: -----------------------------------------
-233: Test1
-233: Done
-222/235 Test #233: testChemicalFeatures ...................   Passed    0.01 sec
-test 234
-        Start 234: pyFeatures
-
-234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
-234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap
-234: Test timeout computed to be: 1500
-221: Randomness seeded to: 1492275709
-221: ===============================================================================
-221: All tests passed (203 assertions in 1 test case)
-221: 
-223/235 Test #221: testMolProcessing ......................   Passed    2.00 sec
+231: [20:55:50] the useCache argument is deprecated and ignored
+223/235 Test #232: pyRanker ...............................   Passed    0.36 sec
 test 235
         Start 235: pythonProjectTests
 
 235: Test command: /usr/bin/python3 "-m" "pytest"
 235: Working Directory: /build/reproducible-path/rdkit-202409.6/Projects
 235: Test timeout computed to be: 1500
-184: ......[00:53:45] 
-184: 
-184: ****
-184: Pre-condition Violation
-184: RingInfo not initialized
-184: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
-184: Failed Expression: df_init
-184: ----------
-184: Stacktrace:
-184:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-184:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-184:  2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  3# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
-184:  4# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  5# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  7# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  8# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  9# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184: 10# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 11# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 12# 0x0000FFFFB711EB90 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 13# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 14# 0x0000FFFFB8B82680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 15# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 20# 0x0000FFFFB707B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 21# 0x0000FFFFB707B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 22# 0x0000FFFFB707B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 23# 0x0000FFFFB707B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 24# 0x0000FFFFB707B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 29# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 30# 0x0000FFFFB8B7F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 31# _PyObject_MakeTpCall in /usr/bin/python3
-184: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 33# 0x0000000000531670 in /usr/bin/python3
-184: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 35# 0x00000000004AB0F4 in /usr/bin/python3
-184: 36# 0x0000000000662B58 in /usr/bin/python3
-184: 37# _PyObject_MakeTpCall in /usr/bin/python3
-184: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 39# 0x0000000000531670 in /usr/bin/python3
-184: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 41# 0x00000000004AB0F4 in /usr/bin/python3
-184: 42# 0x0000000000662B58 in /usr/bin/python3
-184: 43# _PyObject_MakeTpCall in /usr/bin/python3
-184: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 45# 0x0000000000531670 in /usr/bin/python3
-184: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 47# 0x00000000004AB0F4 in /usr/bin/python3
-184: 48# 0x0000000000662B58 in /usr/bin/python3
-184: 49# _PyObject_MakeTpCall in /usr/bin/python3
-184: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 51# 0x0000000000503430 in /usr/bin/python3
-184: 52# _PyObject_MakeTpCall in /usr/bin/python3
-184: 53# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 54# PyEval_EvalCode in /usr/bin/python3
-184: 55# 0x00000000005FD91C in /usr/bin/python3
-184: 56# 0x00000000005F7E70 in /usr/bin/python3
-184: 57# 0x00000000006258F0 in /usr/bin/python3
-184: 58# 0x0000000000625034 in /usr/bin/python3
-184: 59# 0x0000000000624DCC in /usr/bin/python3
-184: 60# Py_RunMain in /usr/bin/python3
-184: 61# Py_BytesMain in /usr/bin/python3
-184: 62# 0x0000FFFFB956229C in /lib/aarch64-linux-gnu/libc.so.6
-184: 63# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-184: 64# _start in /usr/bin/python3
-184: ----------
-184: ****
-184: 
-184: [00:53:45] 
-184: 
-184: ****
-184: Pre-condition Violation
-184: RingInfo not initialized
-184: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
-184: Failed Expression: df_init
-184: ----------
-184: Stacktrace:
-184:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-184:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
-184:  2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  3# 0x0000FFFFB6BD2FA8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  4# Queries::EqualityQuery<int, RDKit::Bond const*, true>::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  7# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  8# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184:  9# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-184: 11# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 12# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 13# 0x0000FFFFB711EB90 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 14# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 15# 0x0000FFFFB8B82680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 16# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
-184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-184: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 21# 0x0000FFFFB707B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 22# 0x0000FFFFB707B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 23# 0x0000FFFFB707B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 24# 0x0000FFFFB707B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 25# 0x0000FFFFB707B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
-184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
-184: 30# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 31# 0x0000FFFFB8B7F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
-184: 32# _PyObject_MakeTpCall in /usr/bin/python3
-184: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 34# 0x0000000000531670 in /usr/bin/python3
-184: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 36# 0x00000000004AB0F4 in /usr/bin/python3
-184: 37# 0x0000000000662B58 in /usr/bin/python3
-184: 38# _PyObject_MakeTpCall in /usr/bin/python3
-184: 39# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 40# 0x0000000000531670 in /usr/bin/python3
-184: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 42# 0x00000000004AB0F4 in /usr/bin/python3
-184: 43# 0x0000000000662B58 in /usr/bin/python3
-184: 44# _PyObject_MakeTpCall in /usr/bin/python3
-184: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 46# 0x0000000000531670 in /usr/bin/python3
-184: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 48# 0x00000000004AB0F4 in /usr/bin/python3
-184: 49# 0x0000000000662B58 in /usr/bin/python3
-184: 50# _PyObject_MakeTpCall in /usr/bin/python3
-184: 51# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 52# 0x0000000000503430 in /usr/bin/python3
-184: 53# _PyObject_MakeTpCall in /usr/bin/python3
-184: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
-184: 55# PyEval_EvalCode in /usr/bin/python3
-184: 56# 0x00000000005FD91C in /usr/bin/python3
-184: 57# 0x00000000005F7E70 in /usr/bin/python3
-184: 58# 0x00000000006258F0 in /usr/bin/python3
-184: 59# 0x0000000000625034 in /usr/bin/python3
-184: 60# 0x0000000000624DCC in /usr/bin/python3
-184: 61# Py_RunMain in /usr/bin/python3
-184: 62# Py_BytesMain in /usr/bin/python3
-184: 63# 0x0000FFFFB956229C in /lib/aarch64-linux-gnu/libc.so.6
-184: 64# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
-184: 65# _start in /usr/bin/python3
-184: ----------
-184: ****
-184: 
 234: ..
 234: ----------------------------------------------------------------------
 234: Ran 2 tests in 0.001s
 234: 
 234: OK
 234: Testing ChemicalFeatures Wrapper code:
-224/235 Test #234: pyFeatures .............................   Passed    0.21 sec
-228: .....
-228: ----------------------------------------------------------------------
-228: Ran 5 tests in 0.786s
-228: 
-228: OK
-225/235 Test #228: pyMatCalc ..............................   Passed    1.00 sec
-231: .......
-231: ----------------------------------------------------------------------
-231: Ran 11 tests in 0.978s
-231: 
-231: OK
-226/235 Test #231: pySimDivPickers ........................   Passed    1.19 sec
+224/235 Test #234: pyFeatures .............................   Passed    0.59 sec
+231: ...[20:55:50] the useCache argument is deprecated and ignored
+231: [20:55:50] the useCache argument is deprecated and ignored
+231: .[20:55:50] the useCache argument is deprecated and ignored
+225/235 Test #198: pyTestThreads ..........................   Passed   15.73 sec
 235: ============================= test session starts ==============================
 235: platform linux -- Python 3.13.2, pytest-8.3.4, pluggy-1.5.0
 235: rootdir: /build/reproducible-path/rdkit-202409.6/Projects
 235: configfile: pytest.ini
 235: collected 12 items
 235: 
-146: [00:53:48]   done
-209: [00:53:48] Explicit valence for atom # 0 Br, 1, is greater than permitted
-209: ===============================================================================
-209: All tests passed (38344 assertions in 51 test cases)
-209: 
-227/235 Test #209: molStandardizeCatchTest ................   Passed   10.11 sec
+231: .......
+231: ----------------------------------------------------------------------
+231: Ran 11 tests in 2.351s
+231: 
+231: OK
+226/235 Test #231: pySimDivPickers ........................   Passed    2.79 sec
 184: .............
 184: ----------------------------------------------------------------------
-184: Ran 19 tests in 19.881s
+184: Ran 19 tests in 36.062s
 184: 
 184: OK
 184: Testing atom rings
@@ -35268,21 +35293,22 @@
 184: searching atom rings
 184: searching bond rings
 184: done
-228/235 Test #184: pySubstructLibrary .....................   Passed   20.12 sec
-146: [00:53:48] 	---------------------------------
-146: [00:53:48] 	 test github issue 256: handling of zero-atom molecules
+227/235 Test #184: pySubstructLibrary .....................   Passed   36.64 sec
+146: [20:56:05]   done
+146: [20:56:05] 	---------------------------------
+146: [20:56:05] 	 test github issue 256: handling of zero-atom molecules
 146: 
-146: [00:53:48] 	---------------------------------
-146: [00:53:48] 	 test embedder callback function 
-146: [00:53:48] 	---------------------------------
-146: [00:53:48] 	 test multi-threaded multi-conf embedding 
+146: [20:56:05] 	---------------------------------
+146: [20:56:05] 	 test embedder callback function 
+146: [20:56:05] 	---------------------------------
+146: [20:56:05] 	 test multi-threaded multi-conf embedding 
 146: 
-146: [00:53:50] 	---------------------------------
-146: [00:53:50] 	 test github issue 563: Incorrect ring stereochemistry after embedding
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 test github issue 563: Incorrect ring stereochemistry after embedding
 146: 
 146: CNC[C@H]1CC[C@H](C[NH3+])CC1
-146: [00:53:51] 	---------------------------------
-146: [00:53:51] 	 test github issue 568: Incorrect stereochemistry after embedding
+146: [20:56:11] 	---------------------------------
+146: [20:56:11] 	 test github issue 568: Incorrect stereochemistry after embedding
 146: 
 146: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
 146: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
@@ -35292,18 +35318,14 @@
 146: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
+209: [20:56:13] Explicit valence for atom # 0 Br, 1, is greater than permitted
+209: ===============================================================================
+209: All tests passed (38344 assertions in 51 test cases)
+209: 
+228/235 Test #209: molStandardizeCatchTest ................   Passed   30.00 sec
 146: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
 146: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O
-146: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
-146: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
-173: Query 3
-146: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
-146: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
-146: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
-146: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
-146: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
-146: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
-147: [00:53:55] Interrupted, cancelling conformer generation
+147: [20:56:17] Interrupted, cancelling conformer generation
 147: Atoms:
 147: 	0 6 C chg: 0  deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[9 3 1 6]
 147: 	1 6 C chg: 0  deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[0 13 6 7]
@@ -35336,17 +35358,23 @@
 147: 	13 7->5 order: 1
 147: 	14 8->12 order: a conj?: 1 aromatic?: 1
 147: 	15 11->2 order: 1 stereo: CCW bonds: (9 4 5) conj?: 1
-146: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
+146: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
+171: ===============================================================================
+171: All tests passed (93 assertions in 5 test cases)
+171: 
+229/235 Test #171: testRascalCluster ......................   Passed   76.33 sec
+146: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
 147: ===============================================================================
 147: All tests passed (12742 assertions in 21 test cases)
 147: 
-229/235 Test #147: distGeomHelpersCatch ...................   Passed   42.24 sec
-173: Query 4
-146: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
-146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
-146: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
-146: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
-146: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
+230/235 Test #147: distGeomHelpersCatch ...................   Passed   87.99 sec
+146: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
+146: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
+146: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
+146: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
+146: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
+146: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
+146: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
 235: DbCLI/UnitTestDbCLI.py ............                                      [100%]
 235: 
 235: =============================== warnings summary ===============================
@@ -35355,66 +35383,69 @@
 235:     decBase = declarative_base()
 235: 
 235: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
-235: ======================== 12 passed, 1 warning in 13.13s ========================
+235: ======================== 12 passed, 1 warning in 32.38s ========================
+231/235 Test #235: pythonProjectTests .....................   Passed   33.13 sec
+146: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
+146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
+173: Query 3
+146: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
+146: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
+146: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
 146: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1
 146: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
-230/235 Test #235: pythonProjectTests .....................   Passed   13.50 sec
+173: Query 4
 146: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
-171: ===============================================================================
-171: All tests passed (93 assertions in 5 test cases)
-171: 
-231/235 Test #171: testRascalCluster ......................   Passed   39.23 sec
 146: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
-5: [00:53:59] Finished: testMultipleTimes() 
-5: [00:53:59] 
-5: -----------------------------------------
-232/235 Test   #5: testConcurrentQueue ....................   Passed   54.31 sec
-146: [00:54:03] Molecule does not have explicit Hs. Consider calling AddHs()
-146: [00:53:59] 	---------------------------------
-146: [00:53:59] 	 test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
-146: [00:53:59] 	---------------------------------
-146: [00:53:59] 	 More ChEMBL molecules failing bounds smoothing.
-146: [00:53:59] 	---------------------------------
-146: [00:53:59] 	 ugly conformations can be generated for highly constrained ring systems.
-146: [00:53:59] 	---------------------------------
-146: [00:53:59] 	 test embed parameters structure.
-146: [00:53:59] 	---------------------------------
-146: [00:53:59] 	 test github 1227: Hs being used in RMSD filtering.
-146: [00:53:59] 	---------------------------------
-146: [00:53:59] 	 Failure to embed larger aromatic rings.
-146: [00:54:00] 	---------------------------------
-146: [00:54:00] 	 Deterministic with large random seeds
-146: [00:54:02] 	---------------------------------
-146: [00:54:02] 	 Github #1990: seg fault after RemoveHs
-146: [00:54:02] 	---------------------------------
-146: [00:54:02] 	 Github #2246: Use coordMap when starting embedding from random coords
-146: [00:54:03] 	---------------------------------
-146: [00:54:03] 	 Providing a distance bounds matrix.
-146: [00:54:03] 	---------------------------------
-146: [00:54:03] 	 Disabling fragmentation.
-146: [00:54:03] 	---------------------------------
-146: [00:54:03] 	 Using symmetry in conformation pruning.
-146: [00:54:03] 	---------------------------------
-146: [00:54:03] 	 Force trans amides.
-146: [00:54:03] 	---------------------------------
-146: [00:54:03] 	 test missing Hs warning.
-146: [00:54:03] 	---------------------------------
-146: [00:54:03] 	 basic H bond support.
-146: [00:54:03] *******************************************************
-233/235 Test #146: testDistGeomHelpers ....................   Passed   49.81 sec
-173: Query 5
+146: [20:56:32] Molecule does not have explicit Hs. Consider calling AddHs()
+146: [20:56:28] 	---------------------------------
+146: [20:56:28] 	 test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
+146: [20:56:28] 	---------------------------------
+146: [20:56:28] 	 More ChEMBL molecules failing bounds smoothing.
+146: [20:56:28] 	---------------------------------
+146: [20:56:28] 	 ugly conformations can be generated for highly constrained ring systems.
+146: [20:56:28] 	---------------------------------
+146: [20:56:28] 	 test embed parameters structure.
+146: [20:56:28] 	---------------------------------
+146: [20:56:28] 	 test github 1227: Hs being used in RMSD filtering.
+146: [20:56:28] 	---------------------------------
+146: [20:56:28] 	 Failure to embed larger aromatic rings.
+146: [20:56:29] 	---------------------------------
+146: [20:56:29] 	 Deterministic with large random seeds
+146: [20:56:31] 	---------------------------------
+146: [20:56:31] 	 Github #1990: seg fault after RemoveHs
+146: [20:56:31] 	---------------------------------
+146: [20:56:31] 	 Github #2246: Use coordMap when starting embedding from random coords
+146: [20:56:31] 	---------------------------------
+146: [20:56:31] 	 Providing a distance bounds matrix.
+146: [20:56:31] 	---------------------------------
+146: [20:56:31] 	 Disabling fragmentation.
+146: [20:56:31] 	---------------------------------
+146: [20:56:31] 	 Using symmetry in conformation pruning.
+146: [20:56:32] 	---------------------------------
+146: [20:56:32] 	 Force trans amides.
+146: [20:56:32] 	---------------------------------
+146: [20:56:32] 	 test missing Hs warning.
+146: [20:56:32] 	---------------------------------
+146: [20:56:32] 	 basic H bond support.
+146: [20:56:32] *******************************************************
+232/235 Test #146: testDistGeomHelpers ....................   Passed  102.07 sec
 170: ===============================================================================
 170: All tests passed (3582 assertions in 34 test cases)
 170: 
-234/235 Test #170: testRascalMCES .........................   Passed   49.99 sec
+233/235 Test #170: testRascalMCES .........................   Passed   91.83 sec
+173: Query 5
 173: ===============================================================================
 173: All tests passed (215 assertions in 18 test cases)
 173: 
-235/235 Test #173: testSynthonSpaceSubstructureSearch .....   Passed   54.34 sec
+234/235 Test #173: testSynthonSpaceSubstructureSearch .....   Passed  102.61 sec
+5: [20:58:33] Finished: testMultipleTimes() 
+5: [20:58:33] 
+5: -----------------------------------------
+235/235 Test   #5: testConcurrentQueue ....................   Passed  238.43 sec
 
 100% tests passed, 0 tests failed out of 235
 
-Total Test time (real) =  71.54 sec
+Total Test time (real) = 238.51 sec
 make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
    create-stamp debian/debhelper-build-stamp
@@ -38065,18 +38096,18 @@
  diversion by libc6 from: /lib/ld-linux-aarch64.so.1
 dpkg-shlibdeps: warning: diversions involved - output may be incorrect
  diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
-dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol CurrentMemoryContext: it's probably a plugin
+dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol AggCheckCallContext: it's probably a plugin
 dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all)
+dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyExc_ValueError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyErr_SetObject used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyObject_CallFunction used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyExc_IndexError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyObject_IsTrue used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyLong_FromUnsignedLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyExc_ValueError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: 2 other similar warnings have been skipped (use -v to see them all)
    dh_installdeb -O--buildsystem=cmake
    dh_gencontrol -O--buildsystem=cmake
@@ -38087,15 +38118,15 @@
 dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
    dh_md5sums -O--buildsystem=cmake
    dh_builddeb -O--buildsystem=cmake
+dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.6-2_all.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_arm64.deb'.
 dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202409.6-2_arm64.deb'.
 dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202409.6-2_arm64.deb'.
-dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.6-2_all.deb'.
 dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202409.6-2_all.deb'.
-dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.6-2_arm64.deb'.
-dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.6-2_arm64.deb'.
 dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202409.6-2_arm64.deb'.
+dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.6-2_arm64.deb'.
 dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.6-2_arm64.deb'.
-dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_arm64.deb'.
+dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.6-2_arm64.deb'.
  dpkg-genbuildinfo --build=binary -O../rdkit_202409.6-2_arm64.buildinfo
  dpkg-genchanges --build=binary -O../rdkit_202409.6-2_arm64.changes
 dpkg-genchanges: info: binary-only upload (no source code included)
@@ -38103,12 +38134,14 @@
 dpkg-buildpackage: info: binary-only upload (no source included)
 dpkg-genchanges: info: not including original source code in upload
 I: copying local configuration
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/2107353/tmp/hooks/B01_cleanup finished
 I: unmounting dev/ptmx filesystem
 I: unmounting dev/pts filesystem
 I: unmounting dev/shm filesystem
 I: unmounting proc filesystem
 I: unmounting sys filesystem
 I: cleaning the build env 
-I: removing directory /srv/workspace/pbuilder/3079180 and its subdirectories
-I: Current time: Thu Apr 23 00:57:00 -12 2026
-I: pbuilder-time-stamp: 1776949020
+I: removing directory /srv/workspace/pbuilder/2107353 and its subdirectories
+I: Current time: Fri Mar 21 21:02:56 +14 2025
+I: pbuilder-time-stamp: 1742540576